2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine

C52H43BrN6 — CID 157252181

IUPAC2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine
SMILESBrc1ccc2c3ccccc3n(-c3ccccn3)c2c1.C=C(C)c1cccc(N)c1.C=C(C)c1ccccc1Nc1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C26H21N3.C17H11BrN2.C9H11N/c1-18(2)20-9-3-5-11-23(20)28-19-14-15-22-21-10-4-6-12-24(21)29(25(22)17-19)26-13-7-8-16-27-26;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;1-7(2)8-4-3-5-9(10)6-8/h3-17,28H,1H2,2H3;1-11H;3-6H,1,10H2,2H3
InChIKeyAWLVWNPJVCZDHU-UHFFFAOYSA-N
MW831.86 g/mol
LogP14.20
Rot. Bonds6

About 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine

2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine (PubChem CID 157252181) has the molecular formula C52H43BrN6 and a molecular weight of 831.86 g/mol. Its IUPAC name is 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine.

Molecular Properties

Compound Name2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine
PubChem CID157252181
Molecular FormulaC52H43BrN6
Molecular Weight831.86 g/mol
Exact Mass830.27
IUPAC Name2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine
SMILESBrc1ccc2c3ccccc3n(-c3ccccn3)c2c1.C=C(C)c1cccc(N)c1.C=C(C)c1ccccc1Nc1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C26H21N3.C17H11BrN2.C9H11N/c1-18(2)20-9-3-5-11-23(20)28-19-14-15-22-21-10-4-6-12-24(21)29(25(22)17-19)26-13-7-8-16-27-26;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;1-7(2)8-4-3-5-9(10)6-8/h3-17,28H,1H2,2H3;1-11H;3-6H,1,10H2,2H3
InChIKeyAWLVWNPJVCZDHU-UHFFFAOYSA-N
XLogP14.20
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.86
LogP ≤ 514.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328288
N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
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CID 166039024
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The IUPAC name of 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine (CID 157252181) is 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine.
What is the SMILES notation for 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The canonical SMILES for 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine is Brc1ccc2c3ccccc3n(-c3ccccn3)c2c1.C=C(C)c1cccc(N)c1.C=C(C)c1ccccc1Nc1ccc2c3ccccc3n(-c3ccccn3)c2c1.
What is the InChIKey of 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The InChIKey is AWLVWNPJVCZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3.C17H11BrN2.C9H11N/c1-18(2)20-9-3-5-11-23(20)28-19-14-15-22-21-10-4-6-12-24(21)29(25(22)17-19)26-13-7-8-16-27-26;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;1-7(2)8-4-3-5-9(10)6-8/h3-17,28H,1H2,2H3;1-11H;3-6H,1,10H2,2H3.
What are the key properties of 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine has a molecular weight of 831.86 g/mol, XLogP of 14.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-pyridin-2-ylcarbazole;3-prop-1-en-2-ylaniline;N-(2-prop-1-en-2-ylphenyl)-9-pyridin-2-ylcarbazol-2-amine is sourced from PubChem (CID 157252181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).