24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C122H75N3S3 — CID 163664305

IUPAC24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4cc5ccccc5cc4c4ccc5c6ccccc6sc5c43)cc3ccccc23)cc1.c1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c5ccccc5c5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2sc4ccccc4c2c2c3c3ccccc3n2-c2cc(-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C44H27NS.C40H25NS.C38H23NS/c1-3-13-28(14-4-1)30-23-24-34-38(26-30)44-42(36-20-10-12-22-40(36)46-44)43-41(34)35-19-9-11-21-39(35)45(43)32-25-31-17-7-8-18-33(31)37(27-32)29-15-5-2-6-16-29;1-3-11-26(12-4-1)28-19-22-30(23-20-28)41-35-25-29(27-13-5-2-6-14-27)21-24-33(35)37-31-15-7-8-16-32(31)38-34-17-9-10-18-36(34)42-40(38)39(37)41;1-2-10-24(11-3-1)33-23-28(20-27-14-6-7-15-29(27)33)39-35-22-26-13-5-4-12-25(26)21-34(35)31-18-19-32-30-16-8-9-17-36(30)40-38(32)37(31)39/h1-27H;1-25H;1-23H
InChIKeyIXBNLYBNRADQJA-UHFFFAOYSA-N
MW1679.16 g/mol
LogP35.56
Rot. Bonds8

About 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 163664305) has the molecular formula C122H75N3S3 and a molecular weight of 1679.16 g/mol. Its IUPAC name is 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID163664305
Molecular FormulaC122H75N3S3
Molecular Weight1679.16 g/mol
Exact Mass1677.51
IUPAC Name24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4cc5ccccc5cc4c4ccc5c6ccccc6sc5c43)cc3ccccc23)cc1.c1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c5ccccc5c5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2sc4ccccc4c2c2c3c3ccccc3n2-c2cc(-c3ccccc3)c3ccccc3c2)cc1
InChIInChI=1S/C44H27NS.C40H25NS.C38H23NS/c1-3-13-28(14-4-1)30-23-24-34-38(26-30)44-42(36-20-10-12-22-40(36)46-44)43-41(34)35-19-9-11-21-39(35)45(43)32-25-31-17-7-8-18-33(31)37(27-32)29-15-5-2-6-16-29;1-3-11-26(12-4-1)28-19-22-30(23-20-28)41-35-25-29(27-13-5-2-6-14-27)21-24-33(35)37-31-15-7-8-16-32(31)38-34-17-9-10-18-36(34)42-40(38)39(37)41;1-2-10-24(11-3-1)33-23-28(20-27-14-6-7-15-29(27)33)39-35-22-26-13-5-4-12-25(26)21-34(35)31-18-19-32-30-16-8-9-17-36(30)40-38(32)37(31)39/h1-27H;1-25H;1-23H
InChIKeyIXBNLYBNRADQJA-UHFFFAOYSA-N
XLogP35.56
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001679.16
LogP ≤ 535.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 163664305) is 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is c1ccc(-c2cc(-n3c4cc5ccccc5cc4c4ccc5c6ccccc6sc5c43)cc3ccccc23)cc1.c1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c5ccccc5c5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2sc4ccccc4c2c2c3c3ccccc3n2-c2cc(-c3ccccc3)c3ccccc3c2)cc1.
What is the InChIKey of 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is IXBNLYBNRADQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS.C40H25NS.C38H23NS/c1-3-13-28(14-4-1)30-23-24-34-38(26-30)44-42(36-20-10-12-22-40(36)46-44)43-41(34)35-19-9-11-21-39(35)45(43)32-25-31-17-7-8-18-33(31)37(27-32)29-15-5-2-6-16-29;1-3-11-26(12-4-1)28-19-22-30(23-20-28)41-35-25-29(27-13-5-2-6-14-27)21-24-33(35)37-31-15-7-8-16-32(31)38-34-17-9-10-18-36(34)42-40(38)39(37)41;1-2-10-24(11-3-1)33-23-28(20-27-14-6-7-15-29(27)33)39-35-22-26-13-5-4-12-25(26)21-34(35)31-18-19-32-30-16-8-9-17-36(30)40-38(32)37(31)39/h1-27H;1-25H;1-23H.
What are the key properties of 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 1679.16 g/mol, XLogP of 35.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4-phenylnaphthalen-2-yl)-3-thia-24-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;13-phenyl-24-(4-phenylnaphthalen-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;21-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 163664305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).