3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine

C35H25BrN2 — CID 91561487

IUPAC3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine
SMILESCc1cncc(-c2cccc(-c3cc(-c4cccc(Br)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C35H25BrN2/c1-24-14-34(23-38-21-24)28-9-3-8-27(16-28)32-17-31(18-33(19-32)29-10-4-12-35(36)20-29)26-7-2-6-25(15-26)30-11-5-13-37-22-30/h2-23H,1H3
InChIKeyBCZQKRWSVDTIND-UHFFFAOYSA-N
MW553.50 g/mol
LogP9.88
Rot. Bonds5

About 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine

3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine (PubChem CID 91561487) has the molecular formula C35H25BrN2 and a molecular weight of 553.50 g/mol. Its IUPAC name is 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine
PubChem CID91561487
Molecular FormulaC35H25BrN2
Molecular Weight553.50 g/mol
Exact Mass552.12
IUPAC Name3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine
SMILESCc1cncc(-c2cccc(-c3cc(-c4cccc(Br)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C35H25BrN2/c1-24-14-34(23-38-21-24)28-9-3-8-27(16-28)32-17-31(18-33(19-32)29-10-4-12-35(36)20-29)26-7-2-6-25(15-26)30-11-5-13-37-22-30/h2-23H,1H3
InChIKeyBCZQKRWSVDTIND-UHFFFAOYSA-N
XLogP9.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.50
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Zimelidine
CID 5365247
3-(6-Bromonaphthalen-2-yl)pyridine
CID 11558270
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
N-methyl-1-[[3-[3-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 11227850
Zimelidine hydrochloride
CID 22313112
[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine
CID 20478929
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-phenylpyridin-1-ium tribromide
CID 23729371
(Z)-4-(4-bromophenyl)-N,N-dimethyl-4-pyridin-3-ylbut-3-en-1-amine
CID 44383358
4-Cyclohexyl-1-[[3-[3-[(4-cyclohexylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52951935
4-Phenyl-1-[[3-[3-[(4-phenylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52952035
1-[(6-Bromo-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 162658126

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine?
The IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine (CID 91561487) is 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine.
What is the SMILES notation for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine?
The canonical SMILES for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine is Cc1cncc(-c2cccc(-c3cc(-c4cccc(Br)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine?
The InChIKey is BCZQKRWSVDTIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25BrN2/c1-24-14-34(23-38-21-24)28-9-3-8-27(16-28)32-17-31(18-33(19-32)29-10-4-12-35(36)20-29)26-7-2-6-25(15-26)30-11-5-13-37-22-30/h2-23H,1H3.
What are the key properties of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine?
3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine has a molecular weight of 553.50 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine is sourced from PubChem (CID 91561487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).