3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

C42H27BrN2 — CID 141339082

IUPAC3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H27BrN2/c43-32-20-23-42-38(27-32)37-26-31(19-22-41(37)45(42)34-14-5-2-6-15-34)29-11-9-10-28(24-29)30-18-21-40-36(25-30)35-16-7-8-17-39(35)44(40)33-12-3-1-4-13-33/h1-27H
InChIKeyPFCKUTDVWSXNKM-UHFFFAOYSA-N
MW639.60 g/mol
LogP11.98
Rot. Bonds4

About 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 141339082) has the molecular formula C42H27BrN2 and a molecular weight of 639.60 g/mol. Its IUPAC name is 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID141339082
Molecular FormulaC42H27BrN2
Molecular Weight639.60 g/mol
Exact Mass638.14
IUPAC Name3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H27BrN2/c43-32-20-23-42-38(27-32)37-26-31(19-22-41(37)45(42)34-14-5-2-6-15-34)29-11-9-10-28(24-29)30-18-21-40-36(25-30)35-16-7-8-17-39(35)44(40)33-12-3-1-4-13-33/h1-27H
InChIKeyPFCKUTDVWSXNKM-UHFFFAOYSA-N
XLogP11.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.60
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
3-(3-bromo-5-phenylphenyl)-9-phenylcarbazole
CID 90030350
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 141339082) is 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is Brc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is PFCKUTDVWSXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BrN2/c43-32-20-23-42-38(27-32)37-26-31(19-22-41(37)45(42)34-14-5-2-6-15-34)29-11-9-10-28(24-29)30-18-21-40-36(25-30)35-16-7-8-17-39(35)44(40)33-12-3-1-4-13-33/h1-27H.
What are the key properties of 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 639.60 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 141339082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).