N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline

C43H31N — CID 59601209

IUPACN-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C43H31N/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)44(36-20-8-3-9-21-36)38-22-14-19-35(31-38)43(34-17-6-2-7-18-34)41-25-12-10-23-39(41)40-24-11-13-26-42(40)43/h1-31H
InChIKeyZAOAIPRNLGONPO-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.19
Rot. Bonds6

About N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline

N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline (PubChem CID 59601209) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
PubChem CID59601209
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC NameN-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C43H31N/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)44(36-20-8-3-9-21-36)38-22-14-19-35(31-38)43(34-17-6-2-7-18-34)41-25-12-10-23-39(41)40-24-11-13-26-42(40)43/h1-31H
InChIKeyZAOAIPRNLGONPO-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-3-(9-phenylfluoren-9-yl)-N-(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-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-(9-phenylfluoren-9-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;N-[3-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159530937
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline (CID 59601209) is N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is ZAOAIPRNLGONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)44(36-20-8-3-9-21-36)38-22-14-19-35(31-38)43(34-17-6-2-7-18-34)41-25-12-10-23-39(41)40-24-11-13-26-42(40)43/h1-31H.
What are the key properties of N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline?
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 561.73 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 59601209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).