9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C54H35BrN6 — CID 159418146

IUPAC9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)N(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cccc3nc(-c4ccncc4)n-2c13
InChIInChI=1S/C36H23N5.C18H12BrN/c1-3-11-30-27(8-1)28-9-2-4-12-31(28)39(30)25-16-18-26(19-17-25)40-32-13-5-6-14-33(32)41-35-29(10-7-15-34(35)40)38-36(41)24-20-22-37-23-21-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-23H;1-12H
InChIKeyLPKRFUVAZHXEGK-UHFFFAOYSA-N
MW847.82 g/mol
LogP14.51
Rot. Bonds4

About 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 159418146) has the molecular formula C54H35BrN6 and a molecular weight of 847.82 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID159418146
Molecular FormulaC54H35BrN6
Molecular Weight847.82 g/mol
Exact Mass846.21
IUPAC Name9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)N(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cccc3nc(-c4ccncc4)n-2c13
InChIInChI=1S/C36H23N5.C18H12BrN/c1-3-11-30-27(8-1)28-9-2-4-12-31(28)39(30)25-16-18-26(19-17-25)40-32-13-5-6-14-33(32)41-35-29(10-7-15-34(35)40)38-36(41)24-20-22-37-23-21-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-23H;1-12H
InChIKeyLPKRFUVAZHXEGK-UHFFFAOYSA-N
XLogP14.51
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.82
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 135242455
triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane
CID 140887729
5-carbazol-9-yl-8,8-dimethyl-15-pyridin-4-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 121353979
8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 140703732
5-bromo-8,15-diphenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(4-naphthalen-2-ylphenyl)-8,15-diphenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 161477263
8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493116
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
15-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122492860

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 159418146) is 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)N(c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1cccc3nc(-c4ccncc4)n-2c13.
What is the InChIKey of 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is LPKRFUVAZHXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5.C18H12BrN/c1-3-11-30-27(8-1)28-9-2-4-12-31(28)39(30)25-16-18-26(19-17-25)40-32-13-5-6-14-33(32)41-35-29(10-7-15-34(35)40)38-36(41)24-20-22-37-23-21-24;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-23H;1-12H.
What are the key properties of 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 847.82 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 159418146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).