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

C31H27N — CID 135143803

IUPAC2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
SMILESC1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=CC1
InChIInChI=1S/C31H27N/c1-2-5-11-22(10-4-1)25-18-26(23-12-6-3-7-13-23)20-27(19-25)24-16-17-29-28-14-8-9-15-30(28)32-31(29)21-24/h1,4-6,8-9,11-22,32H,2-3,7,10H2
InChIKeyCRUNYBJKTUPLQV-UHFFFAOYSA-N
MW413.56 g/mol
LogP8.71
Rot. Bonds3

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

2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole (PubChem CID 135143803) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole.

Molecular Properties

Compound Name2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
PubChem CID135143803
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC Name2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
SMILESC1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=CC1
InChIInChI=1S/C31H27N/c1-2-5-11-22(10-4-1)25-18-26(23-12-6-3-7-13-23)20-27(19-25)24-16-17-29-28-14-8-9-15-30(28)32-31(29)21-24/h1,4-6,8-9,11-22,32H,2-3,7,10H2
InChIKeyCRUNYBJKTUPLQV-UHFFFAOYSA-N
XLogP8.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
CID 135143516
2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
CID 167223460
3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole
CID 166988175
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-triphenylen-2-yl-9H-carbazole
CID 118922949
(E)-[(10Z)-2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)-7-(3,5-diphenylphenyl)-10-propylidenephenanthren-9-ylidene]methanamine
CID 144542330
3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
CID 155130317
5-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-3,8-diphenyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 129109580
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine
CID 146428635
2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
CID 144578976
2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole
CID 142377788

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole?
The IUPAC name of 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole (CID 135143803) is 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole.
What is the SMILES notation for 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole?
The canonical SMILES for 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole is C1=CCC(c2cc(C3=CCCC=C3)cc(-c3ccc4c(c3)[nH]c3ccccc34)c2)C=CC1.
What is the InChIKey of 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole?
The InChIKey is CRUNYBJKTUPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-2-5-11-22(10-4-1)25-18-26(23-12-6-3-7-13-23)20-27(19-25)24-16-17-29-28-14-8-9-15-30(28)32-31(29)21-24/h1,4-6,8-9,11-22,32H,2-3,7,10H2.
What are the key properties of 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole?
2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole has a molecular weight of 413.56 g/mol, XLogP of 8.71, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole is sourced from PubChem (CID 135143803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).