9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole

C27H23BrN2 — CID 144631990

IUPAC9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESC/C=C(\C=C/CC)n1c2ccc(Br)cc2c2c3ccn(-c4ccccc4)c3ccc21
InChIInChI=1S/C27H23BrN2/c1-3-5-9-20(4-2)30-25-13-12-19(28)18-23(25)27-22-16-17-29(21-10-7-6-8-11-21)24(22)14-15-26(27)30/h4-18H,3H2,1-2H3/b9-5-,20-4+
InChIKeyZRQFDSBQRUKHBK-QRQALNBOSA-N
MW455.40 g/mol
LogP8.33
Rot. Bonds4

About 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole

9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole (PubChem CID 144631990) has the molecular formula C27H23BrN2 and a molecular weight of 455.40 g/mol. Its IUPAC name is 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole
PubChem CID144631990
Molecular FormulaC27H23BrN2
Molecular Weight455.40 g/mol
Exact Mass454.10
IUPAC Name9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole
SMILESC/C=C(\C=C/CC)n1c2ccc(Br)cc2c2c3ccn(-c4ccccc4)c3ccc21
InChIInChI=1S/C27H23BrN2/c1-3-5-9-20(4-2)30-25-13-12-19(28)18-23(25)27-22-16-17-29(21-10-7-6-8-11-21)24(22)14-15-26(27)30/h4-18H,3H2,1-2H3/b9-5-,20-4+
InChIKeyZRQFDSBQRUKHBK-QRQALNBOSA-N
XLogP8.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dibromo-9-ethylcarbazole
CID 631855
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CID 124220776
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
6-Bromo-4-(di-n-propylamino)-1,3,4,5-tetrahydrobenz[cd]indole
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5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 44556677
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
8-bromo-2-methyl-5-(2-(pyridin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582939
1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757
9-Benzyl-3-bromo-9H-carbazole
CID 4379666
3-Bromo-9-ethylcarbazole
CID 621080
3,6-Dibromo-9-vinyl-9H-carbazole
CID 631725

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole (CID 144631990) is 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole is C/C=C(\C=C/CC)n1c2ccc(Br)cc2c2c3ccn(-c4ccccc4)c3ccc21.
What is the InChIKey of 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is ZRQFDSBQRUKHBK-QRQALNBOSA-N. The full InChI is InChI=1S/C27H23BrN2/c1-3-5-9-20(4-2)30-25-13-12-19(28)18-23(25)27-22-16-17-29(21-10-7-6-8-11-21)24(22)14-15-26(27)30/h4-18H,3H2,1-2H3/b9-5-,20-4+.
What are the key properties of 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole?
9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 455.40 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-[(2E,4Z)-hepta-2,4-dien-3-yl]-3-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 144631990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).