N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline

C283H208N14 — CID 159681941

About N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline

N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline (PubChem CID 159681941) has the molecular formula C283H208N14 and a molecular weight of 3804.87 g/mol. Its IUPAC name is N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline.

Molecular Properties

• Compound Name: N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
• PubChem CID: 159681941
• Molecular Formula: C283H208N14
• Molecular Weight: 3804.87 g/mol
• Exact Mass: 3801.67
• IUPAC Name: N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
• SMILES: CN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2c3ccccc3c3ccccc3c21.Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2c2c3ccccc3c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21
• InChI: InChI=1S/2C51H36N2.C45H32N2.2C37H28N2.2C31H24N2/c1-52(41-14-6-3-7-15-41)42-29-24-38(25-30-42)36-20-22-39(23-21-36)40-28-33-48-49(34-40)53(43-31-26-37(27-32-43)35-12-4-2-5-13-35)51-47-19-11-9-17-45(47)44-16-8-10-18-46(44)50(48)51;1-52-49-34-40(28-33-48(49)50-46-18-10-8-16-44(46)45-17-9-11-19-47(45)51(50)52)39-22-20-36(21-23-39)38-26-31-43(32-27-38)53(41-14-6-3-7-15-41)42-29-24-37(25-30-42)35-12-4-2-5-13-35;1-46-43-30-34(24-29-42(43)44-40-18-10-8-16-38(40)39-17-9-11-19-41(39)45(44)46)33-22-27-37(28-23-33)47(35-14-6-3-7-15-35)36-25-20-32(21-26-36)31-12-4-2-5-13-31;1-38(31-12-6-3-7-13-31)32-21-16-29(17-22-32)30-20-25-37-35(26-30)34-14-8-9-15-36(34)39(37)33-23-18-28(19-24-33)27-10-4-2-5-11-27;1-38-36-15-9-8-14-34(36)35-26-30(20-25-37(35)38)29-18-23-33(24-19-29)39(31-12-6-3-7-13-31)32-21-16-28(17-22-32)27-10-4-2-5-11-27;1-32-30-15-9-8-14-28(30)29-22-27(20-21-31(29)32)33(25-12-6-3-7-13-25)26-18-16-24(17-19-26)23-10-4-2-5-11-23;1-32(25-12-6-3-7-13-25)27-20-21-31-29(22-27)28-14-8-9-15-30(28)33(31)26-18-16-24(17-19-26)23-10-4-2-5-11-23/h2*2-34H,1H3;2-30H,1H3;2*2-26H,1H3;2*2-22H,1H3
• InChIKey: MVHXGZBSUPAYLK-UHFFFAOYSA-N
• XLogP: 77.12
• TPSA: 57.19 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 297
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3804.87
LogP ≤ 5	77.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?

The IUPAC name of N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline (CID 159681941) is N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline.

What is the SMILES notation for N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?

The canonical SMILES for N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline is CN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)cc1.CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2c3ccccc3c3ccccc3c21.Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2c2c3ccccc3c3ccccc3c21.Cn1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc21.

What is the InChIKey of N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?

The InChIKey is MVHXGZBSUPAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H36N2.C45H32N2.2C37H28N2.2C31H24N2/c1-52(41-14-6-3-7-15-41)42-29-24-38(25-30-42)36-20-22-39(23-21-36)40-28-33-48-49(34-40)53(43-31-26-37(27-32-43)35-12-4-2-5-13-35)51-47-19-11-9-17-45(47)44-16-8-10-18-46(44)50(48)51;1-52-49-34-40(28-33-48(49)50-46-18-10-8-16-44(46)45-17-9-11-19-47(45)51(50)52)39-22-20-36(21-23-39)38-26-31-43(32-27-38)53(41-14-6-3-7-15-41)42-29-24-37(25-30-42)35-12-4-2-5-13-35;1-46-43-30-34(24-29-42(43)44-40-18-10-8-16-38(40)39-17-9-11-19-41(39)45(44)46)33-22-27-37(28-23-33)47(35-14-6-3-7-15-35)36-25-20-32(21-26-36)31-12-4-2-5-13-31;1-38(31-12-6-3-7-13-31)32-21-16-29(17-22-32)30-20-25-37-35(26-30)34-14-8-9-15-36(34)39(37)33-23-18-28(19-24-33)27-10-4-2-5-11-27;1-38-36-15-9-8-14-34(36)35-26-30(20-25-37(35)38)29-18-23-33(24-19-29)39(31-12-6-3-7-13-31)32-21-16-28(17-22-32)27-10-4-2-5-11-27;1-32-30-15-9-8-14-28(30)29-22-27(20-21-31(29)32)33(25-12-6-3-7-13-25)26-18-16-24(17-19-26)23-10-4-2-5-11-23;1-32(25-12-6-3-7-13-25)27-20-21-31-29(22-27)28-14-8-9-15-30(28)33(31)26-18-16-24(17-19-26)23-10-4-2-5-11-23/h2*2-34H,1H3;2-30H,1H3;2*2-26H,1H3;2*2-22H,1H3.

What are the key properties of N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline?

N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline has a molecular weight of 3804.87 g/mol, XLogP of 77.12, 35 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(9-methylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]aniline;9-methyl-N-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-methyl-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline is sourced from PubChem (CID 159681941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).