3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline

C29H20ClN — CID 4066078

IUPAC3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline
SMILESClc1ccc(-c2cc(C=CC=Cc3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C29H20ClN/c30-25-17-14-23(15-18-25)28-20-24(12-5-4-10-21-8-2-1-3-9-21)29-26-13-7-6-11-22(26)16-19-27(29)31-28/h1-20H
InChIKeyCRYILSKWOHGJMU-UHFFFAOYSA-N
MW417.94 g/mol
LogP8.44
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline

3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline (PubChem CID 4066078) has the molecular formula C29H20ClN and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline
PubChem CID4066078
Molecular FormulaC29H20ClN
Molecular Weight417.94 g/mol
Exact Mass417.13
IUPAC Name3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline
SMILESClc1ccc(-c2cc(C=CC=Cc3ccccc3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C29H20ClN/c30-25-17-14-23(15-18-25)28-20-24(12-5-4-10-21-8-2-1-3-9-21)29-26-13-7-6-11-22(26)16-19-27(29)31-28/h1-20H
InChIKeyCRYILSKWOHGJMU-UHFFFAOYSA-N
XLogP8.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
CID 3980990
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)benzo[f]quinoline;hydrochloride
CID 90485158
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
3-(4-bromophenyl)-1-(3-chlorophenyl)benzo[f]quinoline
CID 44613979
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185305
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline (CID 4066078) is 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline is Clc1ccc(-c2cc(C=CC=Cc3ccccc3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline?
The InChIKey is CRYILSKWOHGJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN/c30-25-17-14-23(15-18-25)28-20-24(12-5-4-10-21-8-2-1-3-9-21)29-26-13-7-6-11-22(26)16-19-27(29)31-28/h1-20H.
What are the key properties of 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline?
3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline has a molecular weight of 417.94 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline is sourced from PubChem (CID 4066078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).