1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine

C68H49Br3N2 — CID 159827685

IUPAC1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
SMILESBrc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.Brc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C34H24BrN.C18H12Br2.C16H13N/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34;19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-24H;1-12H;1-12,17H
InChIKeyNNBBLROMAVFJQN-UHFFFAOYSA-N
MW1133.87 g/mol
LogP21.54
Rot. Bonds9

About 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine

1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine (PubChem CID 159827685) has the molecular formula C68H49Br3N2 and a molecular weight of 1133.87 g/mol. Its IUPAC name is 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
PubChem CID159827685
Molecular FormulaC68H49Br3N2
Molecular Weight1133.87 g/mol
Exact Mass1130.14
IUPAC Name1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
SMILESBrc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.Brc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C34H24BrN.C18H12Br2.C16H13N/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34;19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-24H;1-12H;1-12,17H
InChIKeyNNBBLROMAVFJQN-UHFFFAOYSA-N
XLogP21.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.87
LogP ≤ 521.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327934
6,11-dibromo-1,2,3,4-tetraphenyltriphenylene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N,9,10,11,12-hexakis-phenyltriphenylene-2,7-diamine;methane;N-phenylnaphthalen-1-amine
CID 159839238
2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
CID 159097880
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
2-(3-bromophenyl)-5-methyl-4-phenylpyridine;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
CID 160541704
5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
CID 158357134
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine?
The IUPAC name of 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine (CID 159827685) is 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine.
What is the SMILES notation for 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine?
The canonical SMILES for 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine is Brc1cccc(-c2cccc(-c3cccc(Br)c3)c2)c1.Brc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine?
The InChIKey is NNBBLROMAVFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BrN.C18H12Br2.C16H13N/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34;19-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(20)12-16;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-24H;1-12H;1-12,17H.
What are the key properties of 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine?
1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine has a molecular weight of 1133.87 g/mol, XLogP of 21.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine is sourced from PubChem (CID 159827685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).