N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

C103H69N5S — CID 158354924

About N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine

N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 158354924) has the molecular formula C103H69N5S and a molecular weight of 1408.79 g/mol. Its IUPAC name is N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
• PubChem CID: 158354924
• Molecular Formula: C103H69N5S
• Molecular Weight: 1408.79 g/mol
• Exact Mass: 1407.53
• IUPAC Name: N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccc7ccccc7c6n(-c6ccccc6)c5c5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccnc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1
• InChI: InChI=1S/C56H36N2S.C47H33N3/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)57(44-32-34-48-47-20-11-12-22-53(47)59-54(48)35-44)43-30-25-40(26-31-43)51-36-52-50-33-27-39-15-7-8-18-45(39)55(50)58(41-16-5-2-6-17-41)56(52)49-21-10-9-19-46(49)51;1-3-12-34(13-4-1)35-23-26-41(27-24-35)49(43-20-11-29-48-33-43)42-19-10-16-38(31-42)36-14-9-15-37(30-36)39-25-28-47-45(32-39)44-21-7-8-22-46(44)50(47)40-17-5-2-6-18-40/h1-36H;1-33H
• InChIKey: GSTICGNDOMRYOF-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 29.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1408.79
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?

The IUPAC name of N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 158354924) is N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.

What is the SMILES notation for N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?

The canonical SMILES for N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccc7ccccc7c6n(-c6ccccc6)c5c5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccnc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.

What is the InChIKey of N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?

The InChIKey is GSTICGNDOMRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S.C47H33N3/c1-3-13-37(14-4-1)38-23-28-42(29-24-38)57(44-32-34-48-47-20-11-12-22-53(47)59-54(48)35-44)43-30-25-40(26-31-43)51-36-52-50-33-27-39-15-7-8-18-45(39)55(50)58(41-16-5-2-6-17-41)56(52)49-21-10-9-19-46(49)51;1-3-12-34(13-4-1)35-23-26-41(27-24-35)49(43-20-11-29-48-33-43)42-19-10-16-38(31-42)36-14-9-15-37(30-36)39-25-28-47-45(32-39)44-21-7-8-22-46(44)50(47)40-17-5-2-6-18-40/h1-36H;1-33H.

What are the key properties of N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?

N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 1408.79 g/mol, XLogP of 28.91, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(12-phenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 158354924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).