18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C364H216S8 — CID 159479016

About 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 159479016) has the molecular formula C364H216S8 and a molecular weight of 4846.27 g/mol. Its IUPAC name is 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 159479016
• Molecular Formula: C364H216S8
• Molecular Weight: 4846.27 g/mol
• Exact Mass: 4841.47
• IUPAC Name: 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc13)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)ccc2c1
• InChI: InChI=1S/3C48H28S.2C46H28S.2C44H26S.C40H24S/c1-2-12-33-29(11-1)21-22-30-27-31(23-25-34(30)33)45-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)45)32-24-26-43-44(28-32)49-48-42-20-10-4-14-36(42)35-13-3-5-15-37(35)47(43)48;1-2-12-33-29(11-1)21-22-30-23-24-31(27-43(30)33)45-37-16-6-8-18-39(37)46(40-19-9-7-17-38(40)45)32-25-26-42-44(28-32)49-48-41-20-10-4-14-35(41)34-13-3-5-15-36(34)47(42)48;1-2-14-31-29(13-1)27-43(35-18-4-3-15-32(31)35)46-39-22-10-8-20-37(39)45(38-21-9-11-23-40(38)46)30-25-26-42-44(28-30)49-48-41-24-12-6-17-34(41)33-16-5-7-19-36(33)47(42)48;1-2-14-29(15-3-1)31-16-4-7-19-34(31)44-38-23-11-9-21-36(38)43(37-22-10-12-24-39(37)44)30-26-27-41-42(28-30)47-46-40-25-13-6-18-33(40)32-17-5-8-20-35(32)45(41)46;1-2-13-29(14-3-1)30-15-12-16-31(27-30)43-36-20-7-9-22-38(36)44(39-23-10-8-21-37(39)43)32-25-26-41-42(28-32)47-46-40-24-11-5-18-34(40)33-17-4-6-19-35(33)45(41)46;1-2-14-29-27(12-1)13-11-23-32(29)42-36-20-8-6-18-34(36)41(35-19-7-9-21-37(35)42)28-24-25-39-40(26-28)45-44-38-22-10-4-16-31(38)30-15-3-5-17-33(30)43(39)44;1-2-12-28-25-29(22-21-27(28)11-1)41-34-16-6-8-18-36(34)42(37-19-9-7-17-35(37)41)30-23-24-39-40(26-30)45-44-38-20-10-4-14-32(38)31-13-3-5-15-33(31)43(39)44;1-2-12-25(13-3-1)37-30-17-7-9-19-32(30)38(33-20-10-8-18-31(33)37)26-22-23-35-36(24-26)41-40-34-21-11-5-15-28(34)27-14-4-6-16-29(27)39(35)40/h3*1-28H;2*1-28H;2*1-26H;1-24H
• InChIKey: LWTKNVWXYIUUSV-UHFFFAOYSA-N
• XLogP: 108.57
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 372
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4846.27
LogP ≤ 5	108.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 159479016) is 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4c(c3)sc3c5ccccc5c5ccccc5c43)c3ccccc13)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)ccc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6ccccc6c54)c4ccccc34)ccc2c1.

What is the InChIKey of 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is LWTKNVWXYIUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28S.2C46H28S.2C44H26S.C40H24S/c1-2-12-33-29(11-1)21-22-30-27-31(23-25-34(30)33)45-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)45)32-24-26-43-44(28-32)49-48-42-20-10-4-14-36(42)35-13-3-5-15-37(35)47(43)48;1-2-12-33-29(11-1)21-22-30-23-24-31(27-43(30)33)45-37-16-6-8-18-39(37)46(40-19-9-7-17-38(40)45)32-25-26-42-44(28-32)49-48-41-20-10-4-14-35(41)34-13-3-5-15-36(34)47(42)48;1-2-14-31-29(13-1)27-43(35-18-4-3-15-32(31)35)46-39-22-10-8-20-37(39)45(38-21-9-11-23-40(38)46)30-25-26-42-44(28-30)49-48-41-24-12-6-17-34(41)33-16-5-7-19-36(33)47(42)48;1-2-14-29(15-3-1)31-16-4-7-19-34(31)44-38-23-11-9-21-36(38)43(37-22-10-12-24-39(37)44)30-26-27-41-42(28-30)47-46-40-25-13-6-18-33(40)32-17-5-8-20-35(32)45(41)46;1-2-13-29(14-3-1)30-15-12-16-31(27-30)43-36-20-7-9-22-38(36)44(39-23-10-8-21-37(39)43)32-25-26-41-42(28-32)47-46-40-24-11-5-18-34(40)33-17-4-6-19-35(33)45(41)46;1-2-14-29-27(12-1)13-11-23-32(29)42-36-20-8-6-18-34(36)41(35-19-7-9-21-37(35)42)28-24-25-39-40(26-28)45-44-38-22-10-4-16-31(38)30-15-3-5-17-33(30)43(39)44;1-2-12-28-25-29(22-21-27(28)11-1)41-34-16-6-8-18-36(34)42(37-19-9-7-17-35(37)41)30-23-24-39-40(26-30)45-44-38-20-10-4-14-32(38)31-13-3-5-15-33(31)43(39)44;1-2-12-25(13-3-1)37-30-17-7-9-19-32(30)38(33-20-10-8-18-31(33)37)26-22-23-35-36(24-26)41-40-34-21-11-5-15-28(34)27-14-4-6-16-29(27)39(35)40/h3*1-28H;2*1-28H;2*1-26H;1-24H.

What are the key properties of 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?

18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 4846.27 g/mol, XLogP of 108.57, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(10-naphthalen-1-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-3-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenanthren-9-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(2-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;18-[10-(3-phenylphenyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 159479016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).