14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

C72H46N2S — CID 130464803

About 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine

14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (PubChem CID 130464803) has the molecular formula C72H46N2S and a molecular weight of 971.24 g/mol. Its IUPAC name is 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• PubChem CID: 130464803
• Molecular Formula: C72H46N2S
• Molecular Weight: 971.24 g/mol
• Exact Mass: 970.34
• IUPAC Name: 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)c3ccc4c(c3)c3ccccc3c3ccccc3c3ccccc3c3c4ccc4sc5ccccc5c43)cc2)cc1
• InChI: InChI=1S/C72H46N2S/c1-3-19-47(20-4-1)48-35-37-50(38-36-48)73(52-40-43-68-66(46-52)59-29-12-10-26-56(59)61-30-15-17-33-67(61)74(68)49-21-5-2-6-22-49)51-39-41-60-63-42-44-70-72(64-32-16-18-34-69(64)75-70)71(63)62-31-14-13-27-57(62)54-24-8-7-23-53(54)55-25-9-11-28-58(55)65(60)45-51/h1-46H/b55-53-,57-54-,63-60-,65-58-,71-62+
• InChIKey: DRDNXXDCOGWENP-MXDYWSHYSA-N
• XLogP: 21.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.24
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The IUPAC name of 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine (CID 130464803) is 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine.

What is the SMILES notation for 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The canonical SMILES for 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3-c3ccccc3N4c3ccccc3)c3ccc4c(c3)c3ccccc3c3ccccc3c3ccccc3c3c4ccc4sc5ccccc5c43)cc2)cc1.

What is the InChIKey of 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

The InChIKey is DRDNXXDCOGWENP-MXDYWSHYSA-N. The full InChI is InChI=1S/C72H46N2S/c1-3-19-47(20-4-1)48-35-37-50(38-36-48)73(52-40-43-68-66(46-52)59-29-12-10-26-56(59)61-30-15-17-33-67(61)74(68)49-21-5-2-6-22-49)51-39-41-60-63-42-44-70-72(64-32-16-18-34-69(64)75-70)71(63)62-31-14-13-27-57(62)54-24-8-7-23-53(54)55-25-9-11-28-58(55)65(60)45-51/h1-46H/b55-53-,57-54-,63-60-,65-58-,71-62+.

What are the key properties of 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine?

14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine has a molecular weight of 971.24 g/mol, XLogP of 21.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-N-(4-phenylphenyl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine is sourced from PubChem (CID 130464803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).