3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole

C30H18Br2N2 — CID 139052922

IUPAC3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)23-5-1-3-7-27(23)33(29)21-11-13-22(14-12-21)34-28-8-4-2-6-24(28)26-18-20(32)10-16-30(26)34/h1-18H
InChIKeyHVPGZSJWSPZTGT-UHFFFAOYSA-N
MW566.30 g/mol
LogP9.41
Rot. Bonds2

About 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole

3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole (PubChem CID 139052922) has the molecular formula C30H18Br2N2 and a molecular weight of 566.30 g/mol. Its IUPAC name is 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole
PubChem CID139052922
Molecular FormulaC30H18Br2N2
Molecular Weight566.30 g/mol
Exact Mass563.98
IUPAC Name3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)23-5-1-3-7-27(23)33(29)21-11-13-22(14-12-21)34-28-8-4-2-6-24(28)26-18-20(32)10-16-30(26)34/h1-18H
InChIKeyHVPGZSJWSPZTGT-UHFFFAOYSA-N
XLogP9.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.30
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dibromo-9-ethylcarbazole
CID 631855
9-(4-Bromophenyl)carbazole
CID 22361390
3,6-Dibromo-9-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoropropyl]carbazole
CID 66742072
5-bromo-2-[2-(6-bromo-1H-indol-2-yl)ethyl]-1H-indole
CID 76324999
5-bromo-2-(5-bromo-1H-indol-2-yl)-1H-indole
CID 76328570
5-bromo-2-[(E)-2-(6-bromo-1H-indol-2-yl)ethenyl]-1H-indole
CID 76332249
9-Benzyl-3-bromo-9H-carbazole
CID 4379666
3-Bromo-9-ethylcarbazole
CID 621080
3,6-Dibromo-9-vinyl-9H-carbazole
CID 631725
3-Bromo-9-vinyl-9H-carbazole
CID 2223688
3,6-Dibromo-9-(4-bromophenyl)carbazole
CID 11059889
3-Bromo-9-phenylcarbazole
CID 18942624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole (CID 139052922) is 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole?
The InChIKey is HVPGZSJWSPZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)23-5-1-3-7-27(23)33(29)21-11-13-22(14-12-21)34-28-8-4-2-6-24(28)26-18-20(32)10-16-30(26)34/h1-18H.
What are the key properties of 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole?
3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole has a molecular weight of 566.30 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[4-(3-bromocarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 139052922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).