4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine

C26H23N3 — CID 144664691

IUPAC4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
SMILESC=C/C=C(\C=C/C)c1ccc(-c2cccc(-c3ccc(-c4ccncc4)[nH]3)c2)[nH]1
InChIInChI=1S/C26H23N3/c1-3-6-19(7-4-2)23-10-12-25(28-23)21-8-5-9-22(18-21)26-13-11-24(29-26)20-14-16-27-17-15-20/h3-18,28-29H,1H2,2H3/b7-4-,19-6+
InChIKeyCGBDBCNDFGWAAY-CQKLJWTNSA-N
MW377.49 g/mol
LogP6.88
Rot. Bonds6

About 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine

4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine (PubChem CID 144664691) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
PubChem CID144664691
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
SMILESC=C/C=C(\C=C/C)c1ccc(-c2cccc(-c3ccc(-c4ccncc4)[nH]3)c2)[nH]1
InChIInChI=1S/C26H23N3/c1-3-6-19(7-4-2)23-10-12-25(28-23)21-8-5-9-22(18-21)26-13-11-24(29-26)20-14-16-27-17-15-20/h3-18,28-29H,1H2,2H3/b7-4-,19-6+
InChIKeyCGBDBCNDFGWAAY-CQKLJWTNSA-N
XLogP6.88
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 174148997
4-[3-(4-bromophenyl)phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylbenzene
CID 144640238
ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
CID 144790724
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-diphenyl-1H-pyrrole
CID 145108251

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine (CID 144664691) is 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine is C=C/C=C(\C=C/C)c1ccc(-c2cccc(-c3ccc(-c4ccncc4)[nH]3)c2)[nH]1.
What is the InChIKey of 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine?
The InChIKey is CGBDBCNDFGWAAY-CQKLJWTNSA-N. The full InChI is InChI=1S/C26H23N3/c1-3-6-19(7-4-2)23-10-12-25(28-23)21-8-5-9-22(18-21)26-13-11-24(29-26)20-14-16-27-17-15-20/h3-18,28-29H,1H2,2H3/b7-4-,19-6+.
What are the key properties of 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine?
4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine has a molecular weight of 377.49 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 144664691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).