2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole

C54H35BrN2 — CID 118289181

IUPAC2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
SMILESBrc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C54H35BrN2/c55-44-16-12-15-37(32-44)41-29-42(39-25-28-52-49(34-39)47-21-10-11-22-51(47)56(52)45-17-6-2-7-18-45)31-43(30-41)40-23-26-48-50-33-38(36-13-4-1-5-14-36)24-27-53(50)57(54(48)35-40)46-19-8-3-9-20-46/h1-35H
InChIKeyKNUYZJCSZLZHCD-UHFFFAOYSA-N
MW791.79 g/mol
LogP15.31
Rot. Bonds6

About 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole

2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole (PubChem CID 118289181) has the molecular formula C54H35BrN2 and a molecular weight of 791.79 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
PubChem CID118289181
Molecular FormulaC54H35BrN2
Molecular Weight791.79 g/mol
Exact Mass790.20
IUPAC Name2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
SMILESBrc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)c1
InChIInChI=1S/C54H35BrN2/c55-44-16-12-15-37(32-44)41-29-42(39-25-28-52-49(34-39)47-21-10-11-22-51(47)56(52)45-17-6-2-7-18-45)31-43(30-41)40-23-26-48-50-33-38(36-13-4-1-5-14-36)24-27-53(50)57(54(48)35-40)46-19-8-3-9-20-46/h1-35H
InChIKeyKNUYZJCSZLZHCD-UHFFFAOYSA-N
XLogP15.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.79
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
2-[3-(4-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;methanethiol
CID 144896905
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-phenyl-9-[3-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492182
3,6-diphenyl-9-[3-phenyl-5-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084408

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole?
The IUPAC name of 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole (CID 118289181) is 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole.
What is the SMILES notation for 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole?
The canonical SMILES for 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole is Brc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole?
The InChIKey is KNUYZJCSZLZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35BrN2/c55-44-16-12-15-37(32-44)41-29-42(39-25-28-52-49(34-39)47-21-10-11-22-51(47)56(52)45-17-6-2-7-18-45)31-43(30-41)40-23-26-48-50-33-38(36-13-4-1-5-14-36)24-27-53(50)57(54(48)35-40)46-19-8-3-9-20-46/h1-35H.
What are the key properties of 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole?
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole has a molecular weight of 791.79 g/mol, XLogP of 15.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole is sourced from PubChem (CID 118289181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).