3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole

C32H31Br2N — CID 169284775

IUPAC3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C32H31Br2N/c1-31(2,3)21-15-20(16-22(17-21)32(4,5)6)25-9-7-8-10-28(25)35-29-13-11-23(33)18-26(29)27-19-24(34)12-14-30(27)35/h7-19H,1-6H3
InChIKeySNXXNNJIKKLAGI-UHFFFAOYSA-N
MW589.42 g/mol
LogP10.57
Rot. Bonds2

About 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole

3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (PubChem CID 169284775) has the molecular formula C32H31Br2N and a molecular weight of 589.42 g/mol. Its IUPAC name is 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
PubChem CID169284775
Molecular FormulaC32H31Br2N
Molecular Weight589.42 g/mol
Exact Mass587.08
IUPAC Name3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C32H31Br2N/c1-31(2,3)21-15-20(16-22(17-21)32(4,5)6)25-9-7-8-10-28(25)35-29-13-11-23(33)18-26(29)27-19-24(34)12-14-30(27)35/h7-19H,1-6H3
InChIKeySNXXNNJIKKLAGI-UHFFFAOYSA-N
XLogP10.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.42
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520
5-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284834
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
4-[2-[2-[3,6-bis(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 169284776
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
CID 169284938
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (CID 169284775) is 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is CC(C)(C)c1cc(-c2ccccc2-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The InChIKey is SNXXNNJIKKLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Br2N/c1-31(2,3)21-15-20(16-22(17-21)32(4,5)6)25-9-7-8-10-28(25)35-29-13-11-23(33)18-26(29)27-19-24(34)12-14-30(27)35/h7-19H,1-6H3.
What are the key properties of 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole has a molecular weight of 589.42 g/mol, XLogP of 10.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is sourced from PubChem (CID 169284775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).