2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole

C30H25N — CID 135143516

IUPAC2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
SMILESC1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=C1
InChIInChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1,3-5,7-9,11-21,31H,2,6,10H2
InChIKeyCDAKRIJIFGESSI-UHFFFAOYSA-N
MW399.54 g/mol
LogP8.32
Rot. Bonds3

About 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole

2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole (PubChem CID 135143516) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole.

Molecular Properties

Compound Name2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
PubChem CID135143516
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC Name2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
SMILESC1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=C1
InChIInChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1,3-5,7-9,11-21,31H,2,6,10H2
InChIKeyCDAKRIJIFGESSI-UHFFFAOYSA-N
XLogP8.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole?
The IUPAC name of 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole (CID 135143516) is 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole.
What is the SMILES notation for 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole?
The canonical SMILES for 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole is C1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=C1.
What is the InChIKey of 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole?
The InChIKey is CDAKRIJIFGESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1,3-5,7-9,11-21,31H,2,6,10H2.
What are the key properties of 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole?
2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole has a molecular weight of 399.54 g/mol, XLogP of 8.32, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole is sourced from PubChem (CID 135143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).