N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine

C135H89N3OS3 — CID 161049325

About N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine

N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine (PubChem CID 161049325) has the molecular formula C135H89N3OS3 and a molecular weight of 1865.42 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
• PubChem CID: 161049325
• Molecular Formula: C135H89N3OS3
• Molecular Weight: 1865.42 g/mol
• Exact Mass: 1863.62
• IUPAC Name: N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc2)cc1
• InChI: InChI=1S/C47H33NS.C44H27NOS.C44H29NS/c1-47(2)41-16-8-6-14-36(41)37-26-25-35(28-42(37)47)48(34-23-21-31(22-24-34)30-11-4-3-5-12-30)43-17-10-13-32-19-20-33-27-40-38-15-7-9-18-44(38)49-45(40)29-39(33)46(32)43;1-2-9-28(10-3-1)29-19-21-32(22-20-29)45(33-23-24-35-34-12-4-6-15-40(34)46-41(35)26-33)39-14-8-11-30-17-18-31-25-38-36-13-5-7-16-42(36)47-43(38)27-37(31)44(30)39;1-3-10-30(11-4-1)32-20-24-36(25-21-32)45(37-26-22-33(23-27-37)31-12-5-2-6-13-31)41-16-9-14-34-18-19-35-28-40-38-15-7-8-17-42(38)46-43(40)29-39(35)44(34)41/h3-29H,1-2H3;1-27H;1-29H
• InChIKey: UBXPBHSUBDJEIU-UHFFFAOYSA-N
• XLogP: 40.37
• TPSA: 22.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1865.42
LogP ≤ 5	40.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine (CID 161049325) is N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccc5cc6c(cc5c34)sc3ccccc36)cc2)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine?

The InChIKey is UBXPBHSUBDJEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS.C44H27NOS.C44H29NS/c1-47(2)41-16-8-6-14-36(41)37-26-25-35(28-42(37)47)48(34-23-21-31(22-24-34)30-11-4-3-5-12-30)43-17-10-13-32-19-20-33-27-40-38-15-7-9-18-44(38)49-45(40)29-39(33)46(32)43;1-2-9-28(10-3-1)29-19-21-32(22-20-29)45(33-23-24-35-34-12-4-6-15-40(34)46-41(35)26-33)39-14-8-11-30-17-18-31-25-38-36-13-5-7-16-42(36)47-43(38)27-37(31)44(30)39;1-3-10-30(11-4-1)32-20-24-36(25-21-32)45(37-26-22-33(23-27-37)31-12-5-2-6-13-31)41-16-9-14-34-18-19-35-28-40-38-15-7-8-17-42(38)46-43(40)29-39(35)44(34)41/h3-29H,1-2H3;1-27H;1-29H.

What are the key properties of N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine?

N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine has a molecular weight of 1865.42 g/mol, XLogP of 40.37, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine is sourced from PubChem (CID 161049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).