4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline

C39H27Br2NO — CID 102508230

IUPAC4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline
SMILESBrc1ccc(C2(c3ccc(Br)cc3)C=Cc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3O2)cc1
InChIInChI=1S/C39H27Br2NO/c40-33-18-14-31(15-19-33)39(32-16-20-34(41)21-17-32)26-25-30-27-29(13-24-38(30)43-39)28-11-22-37(23-12-28)42(35-7-3-1-4-8-35)36-9-5-2-6-10-36/h1-27H
InChIKeyYVVGYCGSGWBWSO-UHFFFAOYSA-N
MW685.46 g/mol
LogP11.70
Rot. Bonds6

About 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline

4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline (PubChem CID 102508230) has the molecular formula C39H27Br2NO and a molecular weight of 685.46 g/mol. Its IUPAC name is 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline
PubChem CID102508230
Molecular FormulaC39H27Br2NO
Molecular Weight685.46 g/mol
Exact Mass683.05
IUPAC Name4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline
SMILESBrc1ccc(C2(c3ccc(Br)cc3)C=Cc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3O2)cc1
InChIInChI=1S/C39H27Br2NO/c40-33-18-14-31(15-19-33)39(32-16-20-34(41)21-17-32)26-25-30-27-29(13-24-38(30)43-39)28-11-22-37(23-12-28)42(35-7-3-1-4-8-35)36-9-5-2-6-10-36/h1-27H
InChIKeyYVVGYCGSGWBWSO-UHFFFAOYSA-N
XLogP11.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.46
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159014382
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline (CID 102508230) is 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline is Brc1ccc(C2(c3ccc(Br)cc3)C=Cc3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3O2)cc1.
What is the InChIKey of 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline?
The InChIKey is YVVGYCGSGWBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27Br2NO/c40-33-18-14-31(15-19-33)39(32-16-20-34(41)21-17-32)26-25-30-27-29(13-24-38(30)43-39)28-11-22-37(23-12-28)42(35-7-3-1-4-8-35)36-9-5-2-6-10-36/h1-27H.
What are the key properties of 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline?
4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline has a molecular weight of 685.46 g/mol, XLogP of 11.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(4-bromophenyl)chromen-6-yl]-N,N-diphenylaniline is sourced from PubChem (CID 102508230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).