2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline

C51H39N — CID 167197240

IUPAC2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H39N/c1-51(2)48-24-14-12-23-45(48)47-35-41(34-46(50(47)51)40-20-10-5-11-21-40)44-22-13-15-25-49(44)52(42-30-26-38(27-31-42)36-16-6-3-7-17-36)43-32-28-39(29-33-43)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyDRSVYJISSASJBP-UHFFFAOYSA-N
MW665.88 g/mol
LogP14.13
Rot. Bonds7

About 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline

2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 167197240) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID167197240
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC Name2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H39N/c1-51(2)48-24-14-12-23-45(48)47-35-41(34-46(50(47)51)40-20-10-5-11-21-40)44-22-13-15-25-49(44)52(42-30-26-38(27-31-42)36-16-6-3-7-17-36)43-32-28-39(29-33-43)37-18-8-4-9-19-37/h3-35H,1-2H3
InChIKeyDRSVYJISSASJBP-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(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

9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 167196960
6,6,12,12-tetramethyl-7,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455841
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266411
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167196964
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197134
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline (CID 167197240) is 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)c21.
What is the InChIKey of 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is DRSVYJISSASJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-51(2)48-24-14-12-23-45(48)47-35-41(34-46(50(47)51)40-20-10-5-11-21-40)44-22-13-15-25-49(44)52(42-30-26-38(27-31-42)36-16-6-3-7-17-36)43-32-28-39(29-33-43)37-18-8-4-9-19-37/h3-35H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline?
2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 665.88 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-1-phenylfluoren-3-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167197240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).