N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

C141H94N4O3 — CID 159900212

About N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine

N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (PubChem CID 159900212) has the molecular formula C141H94N4O3 and a molecular weight of 1892.33 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
• PubChem CID: 159900212
• Molecular Formula: C141H94N4O3
• Molecular Weight: 1892.33 g/mol
• Exact Mass: 1890.73
• IUPAC Name: N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4ccc5cc6c(cc5c4c3)oc3ccccc36)cc2)cc1
• InChI: InChI=1S/C50H32N2O.C47H33NO.C44H29NO/c1-2-11-33(12-3-1)34-23-26-37(27-24-34)51(38-13-10-14-39(30-38)52-47-18-7-4-15-41(47)42-16-5-8-19-48(42)52)40-28-25-35-21-22-36-29-46-43-17-6-9-20-49(43)53-50(46)32-45(36)44(35)31-40;1-47(2)42-16-8-6-13-36(42)37-26-24-34(28-43(37)47)48(33-22-19-31(20-23-33)30-11-4-3-5-12-30)44-17-10-15-35-38(44)25-21-32-27-41-39-14-7-9-18-45(39)49-46(41)29-40(32)35;1-3-10-30(11-4-1)32-18-23-35(24-19-32)45(36-25-20-33(21-26-36)31-12-5-2-6-13-31)42-16-9-15-37-38(42)27-22-34-28-41-39-14-7-8-17-43(39)46-44(41)29-40(34)37/h1-32H;3-29H,1-2H3;1-29H
• InChIKey: NVVXTEGHGPTLEP-UHFFFAOYSA-N
• XLogP: 40.16
• TPSA: 54.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1892.33
LogP ≤ 5	40.16
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-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine (CID 159900212) is N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3ccc3cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccc4ccc5cc6c(cc5c4c3)oc3ccccc36)cc2)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?

The InChIKey is NVVXTEGHGPTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O.C47H33NO.C44H29NO/c1-2-11-33(12-3-1)34-23-26-37(27-24-34)51(38-13-10-14-39(30-38)52-47-18-7-4-15-41(47)42-16-5-8-19-48(42)52)40-28-25-35-21-22-36-29-46-43-17-6-9-20-49(43)53-50(46)32-45(36)44(35)31-40;1-47(2)42-16-8-6-13-36(42)37-26-24-34(28-43(37)47)48(33-22-19-31(20-23-33)30-11-4-3-5-12-30)44-17-10-15-35-38(44)25-21-32-27-41-39-14-7-9-18-45(39)49-46(41)29-40(32)35;1-3-10-30(11-4-1)32-18-23-35(24-19-32)45(36-25-20-33(21-26-36)31-12-5-2-6-13-31)42-16-9-15-37-38(42)27-22-34-28-41-39-14-7-8-17-43(39)46-44(41)29-40(34)37/h1-32H;3-29H,1-2H3;1-29H.

What are the key properties of N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine?

N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine has a molecular weight of 1892.33 g/mol, XLogP of 40.16, 14 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-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine is sourced from PubChem (CID 159900212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).