2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole

C36H23Br2N — CID 118682582

IUPAC2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole
SMILESBrc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H23Br2N/c37-29-19-28(20-30(38)23-29)27-16-18-33-32-13-7-8-14-34(32)39(36(33)22-27)35-21-26(24-9-3-1-4-10-24)15-17-31(35)25-11-5-2-6-12-25/h1-23H
InChIKeyZLJGBPJFMUCAQH-UHFFFAOYSA-N
MW629.40 g/mol
LogP11.31
Rot. Bonds4

About 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole

2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole (PubChem CID 118682582) has the molecular formula C36H23Br2N and a molecular weight of 629.40 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole
PubChem CID118682582
Molecular FormulaC36H23Br2N
Molecular Weight629.40 g/mol
Exact Mass627.02
IUPAC Name2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole
SMILESBrc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H23Br2N/c37-29-19-28(20-30(38)23-29)27-16-18-33-32-13-7-8-14-34(32)39(36(33)22-27)35-21-26(24-9-3-1-4-10-24)15-17-31(35)25-11-5-2-6-12-25/h1-23H
InChIKeyZLJGBPJFMUCAQH-UHFFFAOYSA-N
XLogP11.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.40
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-5-(4-phenylnaphthalen-1-yl)phenyl]-9-phenylcarbazole
CID 118349518
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 118337067
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
CID 118265947

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole?
The IUPAC name of 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole (CID 118682582) is 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole.
What is the SMILES notation for 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole?
The canonical SMILES for 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole is Brc1cc(Br)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3c2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole?
The InChIKey is ZLJGBPJFMUCAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23Br2N/c37-29-19-28(20-30(38)23-29)27-16-18-33-32-13-7-8-14-34(32)39(36(33)22-27)35-21-26(24-9-3-1-4-10-24)15-17-31(35)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole?
2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole has a molecular weight of 629.40 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole is sourced from PubChem (CID 118682582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).