18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran

C144H86OS3 — CID 158693385

About 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran

18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran (PubChem CID 158693385) has the molecular formula C144H86OS3 and a molecular weight of 1928.47 g/mol. Its IUPAC name is 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran.

Molecular Properties

• Compound Name: 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran
• PubChem CID: 158693385
• Molecular Formula: C144H86OS3
• Molecular Weight: 1928.47 g/mol
• Exact Mass: 1926.58
• IUPAC Name: 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4sc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4sc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4sc32)cc1
• InChI: InChI=1S/2C50H30S.C44H26OS/c1-2-13-31(14-3-1)33-25-27-43-45(29-33)36-18-6-7-19-38(36)49-44-28-26-34(30-46(44)51-50(43)49)47-39-20-8-10-22-41(39)48(42-23-11-9-21-40(42)47)37-24-12-16-32-15-4-5-17-35(32)37;1-2-12-31(13-3-1)34-24-26-43-45(29-34)37-16-6-7-17-38(37)49-44-27-25-36(30-46(44)51-50(43)49)48-41-20-10-8-18-39(41)47(40-19-9-11-21-42(40)48)35-23-22-32-14-4-5-15-33(32)28-35;1-3-11-27(12-4-1)29-21-23-37-39(25-29)33-15-7-8-16-34(33)41-38-24-22-30(26-40(38)46-44(37)41)32-18-10-20-36-35-19-9-17-31(42(35)45-43(32)36)28-13-5-2-6-14-28/h2*1-30H;1-26H
• InChIKey: IGQCOXWQANMRPV-UHFFFAOYSA-N
• XLogP: 42.90
• TPSA: 13.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1928.47
LogP ≤ 5	42.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran?

The IUPAC name of 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran (CID 158693385) is 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran.

What is the SMILES notation for 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran?

The canonical SMILES for 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran is c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4sc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4sc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4sc32)cc1.

What is the InChIKey of 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran?

The InChIKey is IGQCOXWQANMRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30S.C44H26OS/c1-2-13-31(14-3-1)33-25-27-43-45(29-33)36-18-6-7-19-38(36)49-44-28-26-34(30-46(44)51-50(43)49)47-39-20-8-10-22-41(39)48(42-23-11-9-21-40(42)47)37-24-12-16-32-15-4-5-17-35(32)37;1-2-12-31(13-3-1)34-24-26-43-45(29-34)37-16-6-7-17-38(37)49-44-27-25-36(30-46(44)51-50(43)49)48-41-20-10-8-18-39(41)47(40-19-9-11-21-42(40)48)35-23-22-32-14-4-5-15-33(32)28-35;1-3-11-27(12-4-1)29-21-23-37-39(25-29)33-15-7-8-16-34(33)41-38-24-22-30(26-40(38)46-44(37)41)32-18-10-20-36-35-19-9-17-31(42(35)45-43(32)36)28-13-5-2-6-14-28/h2*1-30H;1-26H.

What are the key properties of 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran?

18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran has a molecular weight of 1928.47 g/mol, XLogP of 42.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(10-naphthalen-1-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(10-naphthalen-2-ylanthracen-9-yl)-5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;4-phenyl-6-(5-phenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-yl)dibenzofuran is sourced from PubChem (CID 158693385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).