2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole

C36H33N — CID 71336559

IUPAC2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole
SMILESCCCCCCn1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C36H33N/c1-2-3-4-13-22-37-35-21-20-27(23-32(28-14-7-5-8-15-28)29-16-9-6-10-17-29)24-33(35)34-25-30-18-11-12-19-31(30)26-36(34)37/h5-12,14-21,23-26H,2-4,13,22H2,1H3
InChIKeyKMRBMNSDPFVUAN-UHFFFAOYSA-N
MW479.67 g/mol
LogP10.12
Rot. Bonds8

About 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole

2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole (PubChem CID 71336559) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole
PubChem CID71336559
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC Name2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole
SMILESCCCCCCn1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C36H33N/c1-2-3-4-13-22-37-35-21-20-27(23-32(28-14-7-5-8-15-28)29-16-9-6-10-17-29)24-33(35)34-25-30-18-11-12-19-31(30)26-36(34)37/h5-12,14-21,23-26H,2-4,13,22H2,1H3
InChIKeyKMRBMNSDPFVUAN-UHFFFAOYSA-N
XLogP10.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole?
The IUPAC name of 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole (CID 71336559) is 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole?
The canonical SMILES for 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole is CCCCCCn1c2ccc(C=C(c3ccccc3)c3ccccc3)cc2c2cc3ccccc3cc21.
What is the InChIKey of 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole?
The InChIKey is KMRBMNSDPFVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N/c1-2-3-4-13-22-37-35-21-20-27(23-32(28-14-7-5-8-15-28)29-16-9-6-10-17-29)24-33(35)34-25-30-18-11-12-19-31(30)26-36(34)37/h5-12,14-21,23-26H,2-4,13,22H2,1H3.
What are the key properties of 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole?
2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole has a molecular weight of 479.67 g/mol, XLogP of 10.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-5-hexylbenzo[b]carbazole is sourced from PubChem (CID 71336559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).