N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C54H48N2 — CID 78046682

IUPACN-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C5C=CC6=C(C5)c5ccccc5C6(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H48N2/c1-37-10-23-44(24-11-37)55(45-25-12-38(2)13-26-45)47-29-16-40(17-30-47)41-18-31-48(32-19-41)56(46-27-14-39(3)15-28-46)49-33-20-42(21-34-49)43-22-35-53-51(36-43)50-8-6-7-9-52(50)54(53,4)5/h6-35,43H,36H2,1-5H3
InChIKeyYQWSXSWVJUYTCT-UHFFFAOYSA-N
MW724.99 g/mol
LogP15.01
Rot. Bonds8

About N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 78046682) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID78046682
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC NameN-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C5C=CC6=C(C5)c5ccccc5C6(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H48N2/c1-37-10-23-44(24-11-37)55(45-25-12-38(2)13-26-45)47-29-16-40(17-30-47)41-18-31-48(32-19-41)56(46-27-14-39(3)15-28-46)49-33-20-42(21-34-49)43-22-35-53-51(36-43)50-8-6-7-9-52(50)54(53,4)5/h6-35,43H,36H2,1-5H3
InChIKeyYQWSXSWVJUYTCT-UHFFFAOYSA-N
XLogP15.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)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

9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine
CID 71249509
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
10,10-dimethyl-N,5-bis(4-phenylphenyl)-N-(6,9,9-trimethyl-5,6-dihydrofluoren-2-yl)indeno[1,2-b]indol-8-amine
CID 137396964
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
9-(4-methylphenyl)-7,9-diphenyl-N,N-bis(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 90277846
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
5-carbazol-9-yl-N-(2,4-diphenylcyclohexa-1,5-dien-1-yl)-9,9-bis(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 166895480
9,9-dimethyl-N-(4-methylcyclohexen-1-yl)-N-(4-methylphenyl)-3,4-dihydrofluoren-2-amine
CID 123708867
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 78046682) is N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C5C=CC6=C(C5)c5ccccc5C6(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YQWSXSWVJUYTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N2/c1-37-10-23-44(24-11-37)55(45-25-12-38(2)13-26-45)47-29-16-40(17-30-47)41-18-31-48(32-19-41)56(46-27-14-39(3)15-28-46)49-33-20-42(21-34-49)43-22-35-53-51(36-43)50-8-6-7-9-52(50)54(53,4)5/h6-35,43H,36H2,1-5H3.
What are the key properties of N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 724.99 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 78046682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).