7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

C49H29N3 — CID 130326269

IUPAC7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(nccc6c4)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C49H29N3/c1-2-11-34(12-3-1)51-43-17-9-8-15-38(43)40-27-31(19-21-44(40)51)32-20-22-45-42(28-32)48-36-13-5-4-10-30(36)18-23-46(48)52(45)35-26-33-24-25-50-49-39-16-7-6-14-37(39)41(29-35)47(33)49/h1-29H
InChIKeyQPAHSNJIQIFNSQ-UHFFFAOYSA-N
MW659.79 g/mol
LogP12.90
Rot. Bonds3

About 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (PubChem CID 130326269) has the molecular formula C49H29N3 and a molecular weight of 659.79 g/mol. Its IUPAC name is 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
PubChem CID130326269
Molecular FormulaC49H29N3
Molecular Weight659.79 g/mol
Exact Mass659.24
IUPAC Name7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(nccc6c4)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C49H29N3/c1-2-11-34(12-3-1)51-43-17-9-8-15-38(43)40-27-31(19-21-44(40)51)32-20-22-45-42(28-32)48-36-13-5-4-10-30(36)18-23-46(48)52(45)35-26-33-24-25-50-49-39-16-7-6-14-37(39)41(29-35)47(33)49/h1-29H
InChIKeyQPAHSNJIQIFNSQ-UHFFFAOYSA-N
XLogP12.90
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130326265
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326402
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
7-(2,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326532
10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 130326125
7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130325764
11-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl)-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130326454
8-[9-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130326404
12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 130326449
7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
CID 162231540
7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326598
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812

Frequently Asked Questions

What is the IUPAC name of 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The IUPAC name of 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (CID 130326269) is 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The canonical SMILES for 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(nccc6c4)-c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The InChIKey is QPAHSNJIQIFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3/c1-2-11-34(12-3-1)51-43-17-9-8-15-38(43)40-27-31(19-21-44(40)51)32-20-22-45-42(28-32)48-36-13-5-4-10-30(36)18-23-46(48)52(45)35-26-33-24-25-50-49-39-16-7-6-14-37(39)41(29-35)47(33)49/h1-29H.
What are the key properties of 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole has a molecular weight of 659.79 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is sourced from PubChem (CID 130326269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).