1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole

C19H19N — CID 145348844

IUPAC1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole
SMILESC/C=C\C=C/c1cc2ccccc2n1C1=CCCC=C1
InChIInChI=1S/C19H19N/c1-2-3-5-13-18-15-16-10-8-9-14-19(16)20(18)17-11-6-4-7-12-17/h2-3,5-6,8-15H,4,7H2,1H3/b3-2-,13-5-
InChIKeyUNZFHWAETFDCRP-WUCWQLRMSA-N
MW261.37 g/mol
LogP5.42
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole

1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole (PubChem CID 145348844) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole
PubChem CID145348844
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole
SMILESC/C=C\C=C/c1cc2ccccc2n1C1=CCCC=C1
InChIInChI=1S/C19H19N/c1-2-3-5-13-18-15-16-10-8-9-14-19(16)20(18)17-11-6-4-7-12-17/h2-3,5-6,8-15H,4,7H2,1H3/b3-2-,13-5-
InChIKeyUNZFHWAETFDCRP-WUCWQLRMSA-N
XLogP5.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.42
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

3-[9-cyclohexa-1,5-dien-1-yl-7-methyl-6-[(Z)-prop-1-enyl]carbazol-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167195058
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
[18-[2-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,12,15(20),16,18-octaen-6-yl]boronic acid
CID 143905959
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
CID 145407612
4-tert-butyl-9-cyclohexa-1,5-dien-1-ylcarbazole
CID 170102498
CID 174151922
CID 174151922
2-[(1Z)-buta-1,3-dienyl]-1-methylindole
CID 142244714
1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
CID 166885806

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole (CID 145348844) is 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole is C/C=C\C=C/c1cc2ccccc2n1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole?
The InChIKey is UNZFHWAETFDCRP-WUCWQLRMSA-N. The full InChI is InChI=1S/C19H19N/c1-2-3-5-13-18-15-16-10-8-9-14-19(16)20(18)17-11-6-4-7-12-17/h2-3,5-6,8-15H,4,7H2,1H3/b3-2-,13-5-.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole?
1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole has a molecular weight of 261.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-[(1Z,3Z)-penta-1,3-dienyl]indole is sourced from PubChem (CID 145348844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).