1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline

C95H72BrN5 — CID 157312367

IUPAC1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline
SMILESBrc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)ccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.Cc1cnc(-c2cccc(Nc3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C47H35N3.C30H24N2.C18H13Br/c1-34-33-49-46(32-44(34)37-19-9-4-10-20-37)40-22-14-24-42(30-40)50(47-26-12-11-25-43(47)36-17-7-3-8-18-36)41-23-13-21-39(29-41)45-31-38(27-28-48-45)35-15-5-2-6-16-35;1-22-21-31-30(20-28(22)24-13-6-3-7-14-24)25-15-10-16-26(19-25)32-29-18-9-8-17-27(29)23-11-4-2-5-12-23;19-18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h2-33H,1H3;2-21,32H,1H3;1-13H
InChIKeyBDEOKACOVRZXNU-UHFFFAOYSA-N
MW1363.56 g/mol
LogP26.51
Rot. Bonds15

About 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline

1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline (PubChem CID 157312367) has the molecular formula C95H72BrN5 and a molecular weight of 1363.56 g/mol. Its IUPAC name is 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline
PubChem CID157312367
Molecular FormulaC95H72BrN5
Molecular Weight1363.56 g/mol
Exact Mass1361.50
IUPAC Name1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline
SMILESBrc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)ccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.Cc1cnc(-c2cccc(Nc3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C47H35N3.C30H24N2.C18H13Br/c1-34-33-49-46(32-44(34)37-19-9-4-10-20-37)40-22-14-24-42(30-40)50(47-26-12-11-25-43(47)36-17-7-3-8-18-36)41-23-13-21-39(29-41)45-31-38(27-28-48-45)35-15-5-2-6-16-35;1-22-21-31-30(20-28(22)24-13-6-3-7-14-24)25-15-10-16-26(19-25)32-29-18-9-8-17-27(29)23-11-4-2-5-12-23;19-18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h2-33H,1H3;2-21,32H,1H3;1-13H
InChIKeyBDEOKACOVRZXNU-UHFFFAOYSA-N
XLogP26.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.56
LogP ≤ 526.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66914367
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(6-Bromopyridin-3-yl)Methyl]Amine
CID 86598762
5-[2-[4-[6-(4-fluoro-3-methylphenyl)-5-[4-methanimidoyl-3-(methylamino)phenyl]-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-2-methanimidoyl-N-methylaniline
CID 123955592
2-(5-bromo-2-methylphenyl)-N-[[3-fluoro-4-[(Z)-2-[6-methyl-7-(2-piperidin-4-ylethyl)quinolin-4-yl]ethenyl]phenyl]methyl]ethanamine
CID 130443794
4-bromo-5-fluoro-2-(2-fluoropyridine-4-carboximidoyl)-N-tritylaniline
CID 132194002
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(3-bromophenyl)methyl]aniline
CID 141119957
(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline
CID 157358943
4'-(3-Bromophenyl)-2,2':6',2''-terpyridine
CID 71007131
4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
CID 57342783
4-[3,5-bis[4-(pyridin-2-ylmethylamino)phenyl]phenyl]-N-(pyridin-2-ylmethyl)aniline
CID 132917483
2,6-di(propan-2-yl)-N-[(Z)-1-pyridin-2-ylprop-1-en-2-yl]aniline
CID 139043836

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline (CID 157312367) is 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline is Brc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)ccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.Cc1cnc(-c2cccc(Nc3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
The InChIKey is BDEOKACOVRZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3.C30H24N2.C18H13Br/c1-34-33-49-46(32-44(34)37-19-9-4-10-20-37)40-22-14-24-42(30-40)50(47-26-12-11-25-43(47)36-17-7-3-8-18-36)41-23-13-21-39(29-41)45-31-38(27-28-48-45)35-15-5-2-6-16-35;1-22-21-31-30(20-28(22)24-13-6-3-7-14-24)25-15-10-16-26(19-25)32-29-18-9-8-17-27(29)23-11-4-2-5-12-23;19-18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h2-33H,1H3;2-21,32H,1H3;1-13H.
What are the key properties of 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline?
1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline has a molecular weight of 1363.56 g/mol, XLogP of 26.51, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-phenylphenyl)benzene;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenylaniline;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 157312367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).