7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine

C34H30ClN3 — CID 144769458

IUPAC7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine
SMILESC/C=C\C(CC)N1c2nccc(Cl)c2NC1c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C34H30ClN3/c1-3-8-28(4-2)38-33(37-32-31(35)21-22-36-34(32)38)27-19-15-24(16-20-27)23-13-17-26(18-14-23)30-12-7-10-25-9-5-6-11-29(25)30/h3,5-22,28,33,37H,4H2,1-2H3/b8-3-
InChIKeyWNQWDHGRRJACKK-BAQGIRSFSA-N
MW516.09 g/mol
LogP9.51
Rot. Bonds6

About 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine

7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine (PubChem CID 144769458) has the molecular formula C34H30ClN3 and a molecular weight of 516.09 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine
PubChem CID144769458
Molecular FormulaC34H30ClN3
Molecular Weight516.09 g/mol
Exact Mass515.21
IUPAC Name7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine
SMILESC/C=C\C(CC)N1c2nccc(Cl)c2NC1c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C34H30ClN3/c1-3-8-28(4-2)38-33(37-32-31(35)21-22-36-34(32)38)27-19-15-24(16-20-27)23-13-17-26(18-14-23)30-12-7-10-25-9-5-6-11-29(25)30/h3,5-22,28,33,37H,4H2,1-2H3/b8-3-
InChIKeyWNQWDHGRRJACKK-BAQGIRSFSA-N
XLogP9.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769429
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]pyridine
CID 71174823
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
1-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]phenyl]-N-methyl-N'-[(E)-pent-3-en-2-yl]methanediamine
CID 130180884
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole
CID 131983164
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine (CID 144769458) is 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine is C/C=C\C(CC)N1c2nccc(Cl)c2NC1c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine?
The InChIKey is WNQWDHGRRJACKK-BAQGIRSFSA-N. The full InChI is InChI=1S/C34H30ClN3/c1-3-8-28(4-2)38-33(37-32-31(35)21-22-36-34(32)38)27-19-15-24(16-20-27)23-13-17-26(18-14-23)30-12-7-10-25-9-5-6-11-29(25)30/h3,5-22,28,33,37H,4H2,1-2H3/b8-3-.
What are the key properties of 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine?
7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine has a molecular weight of 516.09 g/mol, XLogP of 9.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-hex-4-en-3-yl]-2-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,2-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 144769458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).