2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol

C27H22BrNO — CID 67325959

IUPAC2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-n1c2ccc(Br)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H22BrNO/c1-27(2,30)23-10-6-7-11-26(23)29-24-14-12-19(18-8-4-3-5-9-18)16-21(24)22-17-20(28)13-15-25(22)29/h3-17,30H,1-2H3
InChIKeyGVDSWSMSQVUWDW-UHFFFAOYSA-N
MW456.38 g/mol
LogP7.44
Rot. Bonds3

About 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol

2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol (PubChem CID 67325959) has the molecular formula C27H22BrNO and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol
PubChem CID67325959
Molecular FormulaC27H22BrNO
Molecular Weight456.38 g/mol
Exact Mass455.09
IUPAC Name2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-n1c2ccc(Br)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C27H22BrNO/c1-27(2,30)23-10-6-7-11-26(23)29-24-14-12-19(18-8-4-3-5-9-18)16-21(24)22-17-20(28)13-15-25(22)29/h3-17,30H,1-2H3
InChIKeyGVDSWSMSQVUWDW-UHFFFAOYSA-N
XLogP7.44
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.38
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
CID 141315844
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
9-(4-bromonaphthalen-1-yl)-3,6-diphenylcarbazole
CID 59372184
3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284775
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702478
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828070
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
2-[5-carbazol-9-yl-4-(2-hydroxypropan-2-yl)-2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
CID 67450875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol (CID 67325959) is 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol is CC(C)(O)c1ccccc1-n1c2ccc(Br)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol?
The InChIKey is GVDSWSMSQVUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrNO/c1-27(2,30)23-10-6-7-11-26(23)29-24-14-12-19(18-8-4-3-5-9-18)16-21(24)22-17-20(28)13-15-25(22)29/h3-17,30H,1-2H3.
What are the key properties of 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol?
2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol has a molecular weight of 456.38 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-6-phenylcarbazol-9-yl)phenyl]propan-2-ol is sourced from PubChem (CID 67325959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).