3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

C69H50N2 — CID 170665708

IUPAC3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C69H50N2/c1-69(2)62-35-15-12-29-56(62)61-46-52(43-44-63(61)69)55-32-20-38-66(67(55)50-41-39-49(40-42-50)47-21-6-3-7-22-47)70(54-28-18-25-51(45-54)48-23-8-4-9-24-48)64-36-16-13-30-57(64)59-33-19-34-60-58-31-14-17-37-65(58)71(68(59)60)53-26-10-5-11-27-53/h3-46H,1-2H3
InChIKeyKWRJILVXXUWTSC-UHFFFAOYSA-N
MW907.17 g/mol
LogP18.89
Rot. Bonds9

About 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline

3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 170665708) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID170665708
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC Name3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C69H50N2/c1-69(2)62-35-15-12-29-56(62)61-46-52(43-44-63(61)69)55-32-20-38-66(67(55)50-41-39-49(40-42-50)47-21-6-3-7-22-47)70(54-28-18-25-51(45-54)48-23-8-4-9-24-48)64-36-16-13-30-57(64)59-33-19-34-60-58-31-14-17-37-65(58)71(68(59)60)53-26-10-5-11-27-53/h3-46H,1-2H3
InChIKeyKWRJILVXXUWTSC-UHFFFAOYSA-N
XLogP18.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(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

3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666243
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
CID 169016086
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789639
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-7-[6-[3-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 170142819
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (CID 170665708) is 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4ccccc4-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3-c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is KWRJILVXXUWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-69(2)62-35-15-12-29-56(62)61-46-52(43-44-63(61)69)55-32-20-38-66(67(55)50-41-39-49(40-42-50)47-21-6-3-7-22-47)70(54-28-18-25-51(45-54)48-23-8-4-9-24-48)64-36-16-13-30-57(64)59-33-19-34-60-58-31-14-17-37-65(58)71(68(59)60)53-26-10-5-11-27-53/h3-46H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 907.17 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170665708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).