N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline

C45H33Br2N — CID 153294011

IUPACN,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C45H33Br2N/c1-45(2)43-11-7-6-10-40(43)41-26-16-33(28-44(41)45)42-29-38(48(36-21-17-34(46)18-22-36)37-23-19-35(47)20-24-37)25-27-39(42)32-14-12-31(13-15-32)30-8-4-3-5-9-30/h3-29H,1-2H3
InChIKeyFEWBQNWDKDWSRS-UHFFFAOYSA-N
MW747.57 g/mol
LogP13.99
Rot. Bonds6

About N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline

N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline (PubChem CID 153294011) has the molecular formula C45H33Br2N and a molecular weight of 747.57 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
PubChem CID153294011
Molecular FormulaC45H33Br2N
Molecular Weight747.57 g/mol
Exact Mass745.10
IUPAC NameN,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C45H33Br2N/c1-45(2)43-11-7-6-10-40(43)41-26-16-33(28-44(41)45)42-29-38(48(36-21-17-34(46)18-22-36)37-23-19-35(47)20-24-37)25-27-39(42)32-14-12-31(13-15-32)30-8-4-3-5-9-30/h3-29H,1-2H3
InChIKeyFEWBQNWDKDWSRS-UHFFFAOYSA-N
XLogP13.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.57
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 146496873
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline (CID 153294011) is N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline?
The InChIKey is FEWBQNWDKDWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33Br2N/c1-45(2)43-11-7-6-10-40(43)41-26-16-33(28-44(41)45)42-29-38(48(36-21-17-34(46)18-22-36)37-23-19-35(47)20-24-37)25-27-39(42)32-14-12-31(13-15-32)30-8-4-3-5-9-30/h3-29H,1-2H3.
What are the key properties of N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline?
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline has a molecular weight of 747.57 g/mol, XLogP of 13.99, 6 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-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 153294011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).