3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole

C30H18Br2N2 — CID 139052923

IUPAC3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)26-18-20(32)10-16-30(26)34(29)22-13-11-21(12-14-22)33-27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H
InChIKeyMMQUAOSNXHLRHS-UHFFFAOYSA-N
MW566.30 g/mol
LogP9.41
Rot. Bonds2

About 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole

3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole (PubChem CID 139052923) has the molecular formula C30H18Br2N2 and a molecular weight of 566.30 g/mol. Its IUPAC name is 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole
PubChem CID139052923
Molecular FormulaC30H18Br2N2
Molecular Weight566.30 g/mol
Exact Mass563.98
IUPAC Name3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)26-18-20(32)10-16-30(26)34(29)22-13-11-21(12-14-22)33-27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H
InChIKeyMMQUAOSNXHLRHS-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 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole (CID 139052923) is 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole?
The InChIKey is MMQUAOSNXHLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2N2/c31-19-9-15-29-25(17-19)26-18-20(32)10-16-30(26)34(29)22-13-11-21(12-14-22)33-27-7-3-1-5-23(27)24-6-2-4-8-28(24)33/h1-18H.
What are the key properties of 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole?
3,6-dibromo-9-(4-carbazol-9-ylphenyl)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 3,6-dibromo-9-(4-carbazol-9-ylphenyl)carbazole is sourced from PubChem (CID 139052923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).