9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine

C51H40N2 — CID 167255464

IUPAC9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H40N2/c1-51(2)48-26-16-15-25-46(48)47-36-35-45(39-29-33-43(34-30-39)52(40-19-9-4-10-20-40)41-21-11-5-12-22-41)50(49(47)51)53(42-23-13-6-14-24-42)44-31-27-38(28-32-44)37-17-7-3-8-18-37/h3-36H,1-2H3
InChIKeyDGAFSYAAUYFPKE-UHFFFAOYSA-N
MW680.90 g/mol
LogP14.27
Rot. Bonds8

About 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine

9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 167255464) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
PubChem CID167255464
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H40N2/c1-51(2)48-26-16-15-25-46(48)47-36-35-45(39-29-33-43(34-30-39)52(40-19-9-4-10-20-40)41-21-11-5-12-22-41)50(49(47)51)53(42-23-13-6-14-24-42)44-31-27-38(28-32-44)37-17-7-3-8-18-37/h3-36H,1-2H3
InChIKeyDGAFSYAAUYFPKE-UHFFFAOYSA-N
XLogP14.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine 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

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
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-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
9,9-dimethyl-N-phenyl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-1-amine
CID 167255362
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
CID 167255297
N,N-diphenyl-4-(5,5,19,19-tetramethyl-16-phenyl-2-heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaenyl)aniline
CID 58142463
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine (CID 167255464) is 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
The InChIKey is DGAFSYAAUYFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-51(2)48-26-16-15-25-46(48)47-36-35-45(39-29-33-43(34-30-39)52(40-19-9-4-10-20-40)41-21-11-5-12-22-41)50(49(47)51)53(42-23-13-6-14-24-42)44-31-27-38(28-32-44)37-17-7-3-8-18-37/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine?
9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine has a molecular weight of 680.90 g/mol, XLogP of 14.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 167255464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).