14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole

C171H117N9 — CID 158192056

About 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole

14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole (PubChem CID 158192056) has the molecular formula C171H117N9 and a molecular weight of 2297.88 g/mol. Its IUPAC name is 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole
• PubChem CID: 158192056
• Molecular Formula: C171H117N9
• Molecular Weight: 2297.88 g/mol
• Exact Mass: 2295.94
• IUPAC Name: 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole
• SMILES: CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2c1ccc1c2c2ccccc2n1-c1ccccc1.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
• InChI: InChI=1S/3C57H39N3/c1-57(2)49-35-40(27-28-41(49)45-29-30-46-42-19-9-14-24-52(42)60(56(46)55(45)57)39-17-7-4-8-18-39)59-51-23-13-11-21-44(51)48-34-37(26-32-54(48)59)36-25-31-53-47(33-36)43-20-10-12-22-50(43)58(53)38-15-5-3-6-16-38;1-57(2)49-33-40(27-28-41(49)45-34-48-44-21-11-13-23-52(44)59(56(48)35-50(45)57)39-17-7-4-8-18-39)60-53-24-14-10-20-43(53)47-32-37(26-30-55(47)60)36-25-29-54-46(31-36)42-19-9-12-22-51(42)58(54)38-15-5-3-6-16-38;1-57(2)47-29-32-54-56(44-21-11-14-24-51(44)59(54)39-17-7-4-8-18-39)55(47)43-28-27-40(35-48(43)57)60-50-23-13-10-20-42(50)46-34-37(26-31-53(46)60)36-25-30-52-45(33-36)41-19-9-12-22-49(41)58(52)38-15-5-3-6-16-38/h3*3-35H,1-2H3
• InChIKey: FZWMTUVXOQCEQX-UHFFFAOYSA-N
• XLogP: 44.85
• TPSA: 44.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2297.88
LogP ≤ 5	44.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole?

The IUPAC name of 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole (CID 158192056) is 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole.

What is the SMILES notation for 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole?

The canonical SMILES for 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole is CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2c1ccc1c2c2ccccc2n1-c1ccccc1.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.

What is the InChIKey of 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole?

The InChIKey is FZWMTUVXOQCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C57H39N3/c1-57(2)49-35-40(27-28-41(49)45-29-30-46-42-19-9-14-24-52(42)60(56(46)55(45)57)39-17-7-4-8-18-39)59-51-23-13-11-21-44(51)48-34-37(26-32-54(48)59)36-25-31-53-47(33-36)43-20-10-12-22-50(43)58(53)38-15-5-3-6-16-38;1-57(2)49-33-40(27-28-41(49)45-34-48-44-21-11-13-23-52(44)59(56(48)35-50(45)57)39-17-7-4-8-18-39)60-53-24-14-10-20-43(53)47-32-37(26-30-55(47)60)36-25-29-54-46(31-36)42-19-9-12-22-51(42)58(54)38-15-5-3-6-16-38;1-57(2)47-29-32-54-56(44-21-11-14-24-51(44)59(54)39-17-7-4-8-18-39)55(47)43-28-27-40(35-48(43)57)60-50-23-13-10-20-42(50)46-34-37(26-31-53(46)60)36-25-30-52-45(33-36)41-19-9-12-22-49(41)58(52)38-15-5-3-6-16-38/h3*3-35H,1-2H3.

What are the key properties of 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole?

14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole has a molecular weight of 2297.88 g/mol, XLogP of 44.85, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-9-phenyl-17-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;12,12-dimethyl-11-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-a]carbazole;7,7-dimethyl-5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 158192056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).