5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole

C156H99N9 — CID 159391615

IUPAC5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/3C52H33N3/c1-3-15-38(16-4-1)54-48-22-12-9-19-41(48)43-27-28-44-46-33-37(25-30-50(46)55(52(44)51(43)54)39-17-5-2-6-18-39)36-24-29-49-45(32-36)42-20-10-11-21-47(42)53(49)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-49-29-25-37(33-45(49)51-50(53)30-27-43-41-19-9-12-22-47(41)55(52(43)51)39-17-5-2-6-18-39)36-24-28-48-44(32-36)42-20-10-11-21-46(42)54(48)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-46-22-12-10-20-42(46)51-49(53)29-30-50-52(51)44-33-37(25-28-48(44)54(50)39-17-5-2-6-18-39)36-24-27-47-43(32-36)41-19-9-11-21-45(41)55(47)40-26-23-34-13-7-8-14-35(34)31-40/h3*1-33H
InChIKeyLMELGKITZZLLBE-UHFFFAOYSA-N
MW2099.57 g/mol
LogP41.39
Rot. Bonds12

About 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole

5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 159391615) has the molecular formula C156H99N9 and a molecular weight of 2099.57 g/mol. Its IUPAC name is 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
PubChem CID159391615
Molecular FormulaC156H99N9
Molecular Weight2099.57 g/mol
Exact Mass2097.80
IUPAC Name5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/3C52H33N3/c1-3-15-38(16-4-1)54-48-22-12-9-19-41(48)43-27-28-44-46-33-37(25-30-50(46)55(52(44)51(43)54)39-17-5-2-6-18-39)36-24-29-49-45(32-36)42-20-10-11-21-47(42)53(49)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-49-29-25-37(33-45(49)51-50(53)30-27-43-41-19-9-12-22-47(41)55(52(43)51)39-17-5-2-6-18-39)36-24-28-48-44(32-36)42-20-10-11-21-46(42)54(48)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-46-22-12-10-20-42(46)51-49(53)29-30-50-52(51)44-33-37(25-28-48(44)54(50)39-17-5-2-6-18-39)36-24-27-47-43(32-36)41-19-9-11-21-45(41)55(47)40-26-23-34-13-7-8-14-35(34)31-40/h3*1-33H
InChIKeyLMELGKITZZLLBE-UHFFFAOYSA-N
XLogP41.39
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms165
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002099.57
LogP ≤ 541.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole (CID 159391615) is 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole?
The InChIKey is LMELGKITZZLLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H33N3/c1-3-15-38(16-4-1)54-48-22-12-9-19-41(48)43-27-28-44-46-33-37(25-30-50(46)55(52(44)51(43)54)39-17-5-2-6-18-39)36-24-29-49-45(32-36)42-20-10-11-21-47(42)53(49)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-49-29-25-37(33-45(49)51-50(53)30-27-43-41-19-9-12-22-47(41)55(52(43)51)39-17-5-2-6-18-39)36-24-28-48-44(32-36)42-20-10-11-21-46(42)54(48)40-26-23-34-13-7-8-14-35(34)31-40;1-3-15-38(16-4-1)53-46-22-12-10-20-42(46)51-49(53)29-30-50-52(51)44-33-37(25-28-48(44)54(50)39-17-5-2-6-18-39)36-24-27-47-43(32-36)41-19-9-11-21-45(41)55(47)40-26-23-34-13-7-8-14-35(34)31-40/h3*1-33H.
What are the key properties of 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole?
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 2099.57 g/mol, XLogP of 41.39, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159391615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).