5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole

C44H37N — CID 145017127

IUPAC5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
SMILESC=C(/C=C(\C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)n1c2ccccc2c2cc3c(cc21)C(C)(C)C1=CCCC=C13
InChIInChI=1S/C44H37N/c1-29(33-24-34(31-15-7-5-8-16-31)26-35(25-33)32-17-9-6-10-18-32)23-30(2)45-42-22-14-12-20-37(42)39-27-38-36-19-11-13-21-40(36)44(3,4)41(38)28-43(39)45/h5-10,12,14-28H,2,11,13H2,1,3-4H3/b29-23+
InChIKeyBJPIZCUJCOYRJP-BYNJWEBRSA-N
MW579.79 g/mol
LogP12.10
Rot. Bonds5

About 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole

5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole (PubChem CID 145017127) has the molecular formula C44H37N and a molecular weight of 579.79 g/mol. Its IUPAC name is 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
PubChem CID145017127
Molecular FormulaC44H37N
Molecular Weight579.79 g/mol
Exact Mass579.29
IUPAC Name5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
SMILESC=C(/C=C(\C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)n1c2ccccc2c2cc3c(cc21)C(C)(C)C1=CCCC=C13
InChIInChI=1S/C44H37N/c1-29(33-24-34(31-15-7-5-8-16-31)26-35(25-33)32-17-9-6-10-18-32)23-30(2)45-42-22-14-12-20-37(42)39-27-38-36-19-11-13-21-40(36)44(3,4)41(38)28-43(39)45/h5-10,12,14-28H,2,11,13H2,1,3-4H3/b29-23+
InChIKeyBJPIZCUJCOYRJP-BYNJWEBRSA-N
XLogP12.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.79
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
CID 126543755
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
CID 154935189
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole;iodomethane
CID 158767390
7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
CID 154035967
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
(E,E)-N-[1-[10-(9H-carbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazol-5-yl]ethenyl]-1,3-diphenylbut-2-en-1-imine
CID 144730553
5'-[2-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 153465943
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
3-[3-[(2E,4E)-5-(2-ethenyl-1,1,3-trimethylcyclopenta[b]carbazol-9-yl)hexa-2,4-dien-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 138714454
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
3-bromo-9-[(3E,5E)-4,6-diphenylhepta-1,3,5-trien-2-yl]carbazole
CID 129136426

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole (CID 145017127) is 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole is C=C(/C=C(\C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1)n1c2ccccc2c2cc3c(cc21)C(C)(C)C1=CCCC=C13.
What is the InChIKey of 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
The InChIKey is BJPIZCUJCOYRJP-BYNJWEBRSA-N. The full InChI is InChI=1S/C44H37N/c1-29(33-24-34(31-15-7-5-8-16-31)26-35(25-33)32-17-9-6-10-18-32)23-30(2)45-42-22-14-12-20-37(42)39-27-38-36-19-11-13-21-40(36)44(3,4)41(38)28-43(39)45/h5-10,12,14-28H,2,11,13H2,1,3-4H3/b29-23+.
What are the key properties of 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole?
5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole has a molecular weight of 579.79 g/mol, XLogP of 12.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 145017127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).