N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline

C31H27Br2F2N — CID 142500772

IUPACN,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
SMILESCC1(C)c2ccc(-c3cccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c3)cc2C(C)(C)C1(F)F
InChIInChI=1S/C31H27Br2F2N/c1-29(2)27-17-8-21(19-28(27)30(3,4)31(29,34)35)20-6-5-7-26(18-20)36(24-13-9-22(32)10-14-24)25-15-11-23(33)12-16-25/h5-19H,1-4H3
InChIKeyGJJAIZWGFOGODU-UHFFFAOYSA-N
MW611.37 g/mol
LogP10.55
Rot. Bonds4

About N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline

N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline (PubChem CID 142500772) has the molecular formula C31H27Br2F2N and a molecular weight of 611.37 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
PubChem CID142500772
Molecular FormulaC31H27Br2F2N
Molecular Weight611.37 g/mol
Exact Mass609.05
IUPAC NameN,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
SMILESCC1(C)c2ccc(-c3cccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c3)cc2C(C)(C)C1(F)F
InChIInChI=1S/C31H27Br2F2N/c1-29(2)27-17-8-21(19-28(27)30(3,4)31(29,34)35)20-6-5-7-26(18-20)36(24-13-9-22(32)10-14-24)25-15-11-23(33)12-16-25/h5-19H,1-4H3
InChIKeyGJJAIZWGFOGODU-UHFFFAOYSA-N
XLogP10.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.37
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
2,5-bis(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-N,N-diphenylaniline
CID 142500552
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-bis(4-bromophenyl)-3-[3-(1-methylcyclopentyl)-4-prop-1-en-2-ylphenyl]aniline
CID 142500784
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
CID 142500441
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
CID 142500795
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline (CID 142500772) is N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline is CC1(C)c2ccc(-c3cccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c3)cc2C(C)(C)C1(F)F.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline?
The InChIKey is GJJAIZWGFOGODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Br2F2N/c1-29(2)27-17-8-21(19-28(27)30(3,4)31(29,34)35)20-6-5-7-26(18-20)36(24-13-9-22(32)10-14-24)25-15-11-23(33)12-16-25/h5-19H,1-4H3.
What are the key properties of N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline?
N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline has a molecular weight of 611.37 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline is sourced from PubChem (CID 142500772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).