1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine

C35H30BrN3 — CID 159368592

IUPAC1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine
SMILESBrc1cccc(-c2ccccc2)c1.Nc1cccnc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1
InChIInChI=1S/C18H15N.C12H9Br.C5H6N2/c1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;6-5-2-1-3-7-4-5/h1-11,13-14H,12H2;1-9H;1-4H,6H2
InChIKeyLJLGTXIECMSOCR-UHFFFAOYSA-N
MW572.55 g/mol
LogP9.12
Rot. Bonds4

About 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine

1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine (PubChem CID 159368592) has the molecular formula C35H30BrN3 and a molecular weight of 572.55 g/mol. Its IUPAC name is 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine.

Molecular Properties

Compound Name1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine
PubChem CID159368592
Molecular FormulaC35H30BrN3
Molecular Weight572.55 g/mol
Exact Mass571.16
IUPAC Name1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine
SMILESBrc1cccc(-c2ccccc2)c1.Nc1cccnc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1
InChIInChI=1S/C18H15N.C12H9Br.C5H6N2/c1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;6-5-2-1-3-7-4-5/h1-11,13-14H,12H2;1-9H;1-4H,6H2
InChIKeyLJLGTXIECMSOCR-UHFFFAOYSA-N
XLogP9.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.55
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine
CID 159692385
1-bromo-3-phenylbenzene
CID 16449
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
[3-(pyridin-3-ylmethyl)phenyl]hydrazine
CID 14987069
1,4-bis(3-benzylphenyl)benzene
CID 175442136
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
hydrogen peroxide;pyridin-3-amine
CID 87884226
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
3-(3-bromophenyl)-5-(chloromethyl)pyridine
CID 165454262
bis(pyridin-3-amine);hydrate
CID 172803625

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine?
The IUPAC name of 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine (CID 159368592) is 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine.
What is the SMILES notation for 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine?
The canonical SMILES for 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine is Brc1cccc(-c2ccccc2)c1.Nc1cccnc1.c1ccc(-c2cccc(Cc3cccnc3)c2)cc1.
What is the InChIKey of 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine?
The InChIKey is LJLGTXIECMSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C12H9Br.C5H6N2/c1-2-8-17(9-3-1)18-10-4-6-15(13-18)12-16-7-5-11-19-14-16;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;6-5-2-1-3-7-4-5/h1-11,13-14H,12H2;1-9H;1-4H,6H2.
What are the key properties of 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine?
1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine has a molecular weight of 572.55 g/mol, XLogP of 9.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine is sourced from PubChem (CID 159368592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).