N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline

C77H60N2 — CID 58939361

IUPACN-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C77H60N2/c1-53-21-35-67(36-22-53)78(69-39-25-57(26-40-69)63-19-11-17-61(49-63)55-13-7-5-8-14-55)71-43-29-59(30-44-71)65-33-47-73-74-48-34-66(52-76(74)77(3,4)75(73)51-65)60-31-45-72(46-32-60)79(68-37-23-54(2)24-38-68)70-41-27-58(28-42-70)64-20-12-18-62(50-64)56-15-9-6-10-16-56/h5-52H,1-4H3
InChIKeyLKWLKWYKFMHXKW-UHFFFAOYSA-N
MW1013.34 g/mol
LogP21.55
Rot. Bonds12

About N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 58939361) has the molecular formula C77H60N2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID58939361
Molecular FormulaC77H60N2
Molecular Weight1013.34 g/mol
Exact Mass1012.48
IUPAC NameN-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C77H60N2/c1-53-21-35-67(36-22-53)78(69-39-25-57(26-40-69)63-19-11-17-61(49-63)55-13-7-5-8-14-55)71-43-29-59(30-44-71)65-33-47-73-74-48-34-66(52-76(74)77(3,4)75(73)51-65)60-31-45-72(46-32-60)79(68-37-23-54(2)24-38-68)70-41-27-58(28-42-70)64-20-12-18-62(50-64)56-15-9-6-10-16-56/h5-52H,1-4H3
InChIKeyLKWLKWYKFMHXKW-UHFFFAOYSA-N
XLogP21.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 521.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]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-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
3,5-bis(9,9-dimethylfluoren-2-yl)-N-(4-methylphenyl)-N-phenylaniline
CID 58389731
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352

Frequently Asked Questions

What is the IUPAC name of N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 58939361) is N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline is Cc1ccc(N(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is LKWLKWYKFMHXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N2/c1-53-21-35-67(36-22-53)78(69-39-25-57(26-40-69)63-19-11-17-61(49-63)55-13-7-5-8-14-55)71-43-29-59(30-44-71)65-33-47-73-74-48-34-66(52-76(74)77(3,4)75(73)51-65)60-31-45-72(46-32-60)79(68-37-23-54(2)24-38-68)70-41-27-58(28-42-70)64-20-12-18-62(50-64)56-15-9-6-10-16-56/h5-52H,1-4H3.
What are the key properties of N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 1013.34 g/mol, XLogP of 21.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 58939361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).