17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C198H123N11 — CID 165041303

About 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 165041303) has the molecular formula C198H123N11 and a molecular weight of 2656.24 g/mol. Its IUPAC name is 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 165041303
• Molecular Formula: C198H123N11
• Molecular Weight: 2656.24 g/mol
• Exact Mass: 2654.00
• IUPAC Name: 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: c1ccc(-c2c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4n4c5ccccc5c5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C56H35N3.C54H33N3.C50H31N3.C38H24N2/c1-3-15-36(16-4-1)55-46-30-29-40(35-54(46)59-51-26-14-9-20-42(51)41-19-7-8-23-45(41)56(55)59)58-50-25-13-11-22-44(50)48-34-38(28-32-53(48)58)37-27-31-52-47(33-37)43-21-10-12-24-49(43)57(52)39-17-5-2-6-18-39;1-2-12-34(13-3-1)36-22-25-38(26-23-36)50-46-30-29-41(33-49(46)57-48-21-11-10-19-44(48)43-18-8-9-20-45(43)53(50)57)54-55-51(40-27-24-35-14-4-5-16-39(35)32-40)47-31-28-37-15-6-7-17-42(37)52(47)56-54;1-2-14-32(15-3-1)49-41-28-26-34(31-48(41)53-46-25-13-6-17-36(46)35-16-4-5-21-40(35)50(49)53)52-45-24-12-9-20-39(45)42-30-33(27-29-47(42)52)51-43-22-10-7-18-37(43)38-19-8-11-23-44(38)51;1-2-12-25(13-3-1)37-32-23-22-26(39-33-19-9-7-16-29(33)30-17-8-10-20-34(30)39)24-36(32)40-35-21-11-6-15-28(35)27-14-4-5-18-31(27)38(37)40/h1-35H;1-33H;1-31H;1-24H
• InChIKey: OECLMBIJXUUHEN-UHFFFAOYSA-N
• XLogP: 52.67
• TPSA: 68.07 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2656.24
LogP ≤ 5	52.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 165041303) is 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3n3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2ccc(-c3c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4n4c5ccccc5c5ccccc5c34)cc2)cc1.

What is the InChIKey of 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is OECLMBIJXUUHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3.C54H33N3.C50H31N3.C38H24N2/c1-3-15-36(16-4-1)55-46-30-29-40(35-54(46)59-51-26-14-9-20-42(51)41-19-7-8-23-45(41)56(55)59)58-50-25-13-11-22-44(50)48-34-38(28-32-53(48)58)37-27-31-52-47(33-37)43-21-10-12-24-49(43)57(52)39-17-5-2-6-18-39;1-2-12-34(13-3-1)36-22-25-38(26-23-36)50-46-30-29-41(33-49(46)57-48-21-11-10-19-44(48)43-18-8-9-20-45(43)53(50)57)54-55-51(40-27-24-35-14-4-5-16-39(35)32-40)47-31-28-37-15-6-7-17-42(37)52(47)56-54;1-2-14-32(15-3-1)49-41-28-26-34(31-48(41)53-46-25-13-6-17-36(46)35-16-4-5-21-40(35)50(49)53)52-45-24-12-9-20-39(45)42-30-33(27-29-47(42)52)51-43-22-10-7-18-37(43)38-19-8-11-23-44(38)51;1-2-12-25(13-3-1)37-32-23-22-26(39-33-19-9-7-16-29(33)30-17-8-10-20-34(30)39)24-36(32)40-35-21-11-6-15-28(35)27-14-4-5-18-31(27)38(37)40/h1-35H;1-33H;1-31H;1-24H.

What are the key properties of 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 2656.24 g/mol, XLogP of 52.67, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(3-carbazol-9-ylcarbazol-9-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-carbazol-9-yl-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;17-(4-naphthalen-2-ylbenzo[h]quinazolin-2-yl)-21-(4-phenylphenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;21-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 165041303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).