9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine

C25H23BrN2 — CID 90754565

IUPAC9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESNC1CCCc2c1n(C(c1ccccc1)c1ccccc1)c1ccc(Br)cc21
InChIInChI=1S/C25H23BrN2/c26-19-14-15-23-21(16-19)20-12-7-13-22(27)25(20)28(23)24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,22,24H,7,12-13,27H2
InChIKeyPQGVOFITNXZJGI-UHFFFAOYSA-N
MW431.38 g/mol
LogP6.38
Rot. Bonds3

About 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine

9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 90754565) has the molecular formula C25H23BrN2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID90754565
Molecular FormulaC25H23BrN2
Molecular Weight431.38 g/mol
Exact Mass430.10
IUPAC Name9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESNC1CCCc2c1n(C(c1ccccc1)c1ccccc1)c1ccc(Br)cc21
InChIInChI=1S/C25H23BrN2/c26-19-14-15-23-21(16-19)20-12-7-13-22(27)25(20)28(23)24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,22,24H,7,12-13,27H2
InChIKeyPQGVOFITNXZJGI-UHFFFAOYSA-N
XLogP6.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84642534
9-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-1-amine
CID 90815150
(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine
CID 175080480
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
(5R)-12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 755461
ethyl 2-[6-fluoro-9-(1-phenylethyl)-1,2,3,4-tetrahydrocarbazol-1-yl]acetate
CID 57082654
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-12-yl(phenyl)methanol chloride
CID 44654830
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
2-[6-bromo-9-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]butanoic acid
CID 67866802
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine (CID 90754565) is 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine is NC1CCCc2c1n(C(c1ccccc1)c1ccccc1)c1ccc(Br)cc21.
What is the InChIKey of 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is PQGVOFITNXZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2/c26-19-14-15-23-21(16-19)20-12-7-13-22(27)25(20)28(23)24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,22,24H,7,12-13,27H2.
What are the key properties of 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine?
9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 431.38 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 90754565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).