N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline

C32H31Br2N — CID 142500443

IUPACN,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1-c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C32H31Br2N/c1-21-6-12-27(35(25-13-8-23(33)9-14-25)26-15-10-24(34)11-16-26)19-28(21)22-7-17-29-30(18-22)32(4,5)20-31(29,2)3/h6-19H,20H2,1-5H3
InChIKeyYFAKYBPZRMWACY-UHFFFAOYSA-N
MW589.42 g/mol
LogP10.62
Rot. Bonds4

About N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline

N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline (PubChem CID 142500443) has the molecular formula C32H31Br2N and a molecular weight of 589.42 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
PubChem CID142500443
Molecular FormulaC32H31Br2N
Molecular Weight589.42 g/mol
Exact Mass587.08
IUPAC NameN,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1-c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C32H31Br2N/c1-21-6-12-27(35(25-13-8-23(33)9-14-25)26-15-10-24(34)11-16-26)19-28(21)22-7-17-29-30(18-22)32(4,5)20-31(29,2)3/h6-19H,20H2,1-5H3
InChIKeyYFAKYBPZRMWACY-UHFFFAOYSA-N
XLogP10.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.42
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500857
N,N-bis(4-bromophenyl)-4-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-3-methylaniline
CID 142500084
N,N-diphenyl-4-(1,1,3,3-tetramethyl-2H-inden-5-yl)naphthalen-2-amine
CID 142500620
4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-3-methyl-N,N-diphenylaniline
CID 154592716
N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
CID 145001222
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 167260382
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500266
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
5-[2-(4-bromophenyl)ethynyl]-1,1,3,3-tetramethyl-2H-indene
CID 102028478
N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
CID 142500772
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline (CID 142500443) is N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline is Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1-c1ccc2c(c1)C(C)(C)CC2(C)C.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The InChIKey is YFAKYBPZRMWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Br2N/c1-21-6-12-27(35(25-13-8-23(33)9-14-25)26-15-10-24(34)11-16-26)19-28(21)22-7-17-29-30(18-22)32(4,5)20-31(29,2)3/h6-19H,20H2,1-5H3.
What are the key properties of N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
N,N-bis(4-bromophenyl)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline has a molecular weight of 589.42 g/mol, XLogP of 10.62, 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)-4-methyl-3-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline is sourced from PubChem (CID 142500443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).