3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C157H102N10 — CID 158911528

About 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 158911528) has the molecular formula C157H102N10 and a molecular weight of 2128.61 g/mol. Its IUPAC name is 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 158911528
• Molecular Formula: C157H102N10
• Molecular Weight: 2128.61 g/mol
• Exact Mass: 2126.83
• IUPAC Name: 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)c23)cc1
• InChI: InChI=1S/C59H40N4.2C49H31N3/c1-4-17-42(18-5-1)58-54-39-38-52-51-24-13-15-27-56(51)63(59(52)57(54)53-25-12-14-26-55(53)60-58)49-36-34-48(35-37-49)62(50-29-28-41-16-10-11-19-43(41)40-50)47-32-30-46(31-33-47)61(44-20-6-2-7-21-44)45-22-8-3-9-23-45;1-3-13-33(14-4-1)48-41-29-28-39-37-17-8-12-22-45(37)52(49(39)47(41)40-19-7-10-20-43(40)50-48)36-26-23-32(24-27-36)34-25-30-46-42(31-34)38-18-9-11-21-44(38)51(46)35-15-5-2-6-16-35;1-2-13-33(14-3-1)48-42-30-29-40-39-19-7-11-24-46(39)52(49(40)47(42)41-20-4-8-21-43(41)50-48)35-27-25-32(26-28-35)34-15-12-16-36(31-34)51-44-22-9-5-17-37(44)38-18-6-10-23-45(38)51/h1-40H;2*1-31H
• InChIKey: JGSCSVGXQRKOSS-UHFFFAOYSA-N
• XLogP: 42.08
• TPSA: 69.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2128.61
LogP ≤ 5	42.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 158911528) is 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4ccc(N(c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccc6ccccc6c5)cc4)c23)cc1.

What is the InChIKey of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is JGSCSVGXQRKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4.2C49H31N3/c1-4-17-42(18-5-1)58-54-39-38-52-51-24-13-15-27-56(51)63(59(52)57(54)53-25-12-14-26-55(53)60-58)49-36-34-48(35-37-49)62(50-29-28-41-16-10-11-19-43(41)40-50)47-32-30-46(31-33-47)61(44-20-6-2-7-21-44)45-22-8-3-9-23-45;1-3-13-33(14-4-1)48-41-29-28-39-37-17-8-12-22-45(37)52(49(39)47(41)40-19-7-10-20-43(40)50-48)36-26-23-32(24-27-36)34-25-30-46-42(31-34)38-18-9-11-21-44(38)51(46)35-15-5-2-6-16-35;1-2-13-33(14-3-1)48-42-30-29-40-39-19-7-11-24-46(39)52(49(40)47(42)41-20-4-8-21-43(41)50-48)35-27-25-32(26-28-35)34-15-12-16-36(31-34)51-44-22-9-5-17-37(44)38-18-6-10-23-45(38)51/h1-40H;2*1-31H.

What are the key properties of 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 2128.61 g/mol, XLogP of 42.08, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 158911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).