(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine

C40H30BrFN2 — CID 143010108

IUPAC(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/Cc1cccc(F)c1)c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(Br)c3)c2)c1)c1ccccc1
InChIInChI=1S/C40H30BrFN2/c41-36-18-9-17-34(24-36)40-27-35(26-39(44-40)30-13-5-2-6-14-30)32-16-8-15-31(23-32)33(21-20-28-10-7-19-37(42)22-28)25-38(43)29-11-3-1-4-12-29/h1-19,21-27H,20,43H2/b33-21+,38-25-
InChIKeyILTAEFUNVQKWIM-VDQZUNOJSA-N
MW637.60 g/mol
LogP10.61
Rot. Bonds8

About (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine

(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine (PubChem CID 143010108) has the molecular formula C40H30BrFN2 and a molecular weight of 637.60 g/mol. Its IUPAC name is (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine
PubChem CID143010108
Molecular FormulaC40H30BrFN2
Molecular Weight637.60 g/mol
Exact Mass636.16
IUPAC Name(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine
SMILESN/C(=C\C(=C/Cc1cccc(F)c1)c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(Br)c3)c2)c1)c1ccccc1
InChIInChI=1S/C40H30BrFN2/c41-36-18-9-17-34(24-36)40-27-35(26-39(44-40)30-13-5-2-6-14-30)32-16-8-15-31(23-32)33(21-20-28-10-7-19-37(42)22-28)25-38(43)29-11-3-1-4-12-29/h1-19,21-27H,20,43H2/b33-21+,38-25-
InChIKeyILTAEFUNVQKWIM-VDQZUNOJSA-N
XLogP10.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.60
LogP ≤ 510.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CID 12434472
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
2-Bromo-4-(3-fluoro-phenyl)-6-phenyl-nicotinonitrile
CID 1105833
6-Bromo-2-(4-fluorophenyl)-4-phenylquinoline
CID 132547244
4-(4-Fluorophenyl)-2,6-diphenylpyridine
CID 629756
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
2-(3-Bromophenyl)-6-methyl-4-phenylquinoline
CID 24813932
4-(3-Fluorophenyl)-2,6-diphenylpyridine
CID 122365613
2,6-Bis(4-bromophenyl)-4-phenylpyridine
CID 1806873
2-Bromo-6-(4-fluorophenyl)-4-phenylpyridine-3-carbonitrile
CID 1070020
2-(4-Fluorophenyl)-4,6-diphenylpyridine
CID 2825414
4-(2-Fluorophenyl)-2,6-diphenylpyridine
CID 129845565

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine (CID 143010108) is (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine is N/C(=C\C(=C/Cc1cccc(F)c1)c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(Br)c3)c2)c1)c1ccccc1.
What is the InChIKey of (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine?
The InChIKey is ILTAEFUNVQKWIM-VDQZUNOJSA-N. The full InChI is InChI=1S/C40H30BrFN2/c41-36-18-9-17-34(24-36)40-27-35(26-39(44-40)30-13-5-2-6-14-30)32-16-8-15-31(23-32)33(21-20-28-10-7-19-37(42)22-28)25-38(43)29-11-3-1-4-12-29/h1-19,21-27H,20,43H2/b33-21+,38-25-.
What are the key properties of (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine?
(1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine has a molecular weight of 637.60 g/mol, XLogP of 10.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-5-(3-fluorophenyl)-1-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143010108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).