4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine

C113H86Br5N5 — CID 159957183

IUPAC4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H22BrN.C24H18BrN.2C22H16BrN.C18H14BrN/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;23-19-11-14-21(15-12-19)24(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h3-18H,1-2H3;1-18H;2*1-16H;1-14H
InChIKeyOCWCINVFRZWKPB-UHFFFAOYSA-N
MW1913.49 g/mol
LogP35.87
Rot. Bonds16

About 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine

4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine (PubChem CID 159957183) has the molecular formula C113H86Br5N5 and a molecular weight of 1913.49 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
PubChem CID159957183
Molecular FormulaC113H86Br5N5
Molecular Weight1913.49 g/mol
Exact Mass1907.28
IUPAC Name4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H22BrN.C24H18BrN.2C22H16BrN.C18H14BrN/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;23-19-11-14-21(15-12-19)24(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h3-18H,1-2H3;1-18H;2*1-16H;1-14H
InChIKeyOCWCINVFRZWKPB-UHFFFAOYSA-N
XLogP35.87
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001913.49
LogP ≤ 535.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-bromophenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-bromophenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 158231660
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine (CID 159957183) is 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine is Brc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is OCWCINVFRZWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrN.C24H18BrN.2C22H16BrN.C18H14BrN/c1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)29(20-8-4-3-5-9-20)21-14-12-19(28)13-15-21;25-21-13-17-24(18-14-21)26(22-9-5-2-6-10-22)23-15-11-20(12-16-23)19-7-3-1-4-8-19;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;23-19-11-14-21(15-12-19)24(20-8-2-1-3-9-20)22-13-10-17-6-4-5-7-18(17)16-22;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h3-18H,1-2H3;1-18H;2*1-16H;1-14H.
What are the key properties of 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine?
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 1913.49 g/mol, XLogP of 35.87, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 159957183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).