3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline

C68H47N — CID 162510737

IUPAC3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-24-52(25-7-1)67(53-26-8-2-9-27-53)63-38-18-16-36-59(63)61-46-50(40-42-65(61)67)48-22-20-34-57(44-48)69(56-32-14-5-15-33-56)58-35-21-23-49(45-58)51-41-43-66-62(47-51)60-37-17-19-39-64(60)68(66,54-28-10-3-11-29-54)55-30-12-4-13-31-55/h1-47H
InChIKeyOPDSITWQXKRJSU-UHFFFAOYSA-N
MW878.13 g/mol
LogP17.22
Rot. Bonds9

About 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline

3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline (PubChem CID 162510737) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
PubChem CID162510737
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC Name3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-24-52(25-7-1)67(53-26-8-2-9-27-53)63-38-18-16-36-59(63)61-46-50(40-42-65(61)67)48-22-20-34-57(44-48)69(56-32-14-5-15-33-56)58-35-21-23-49(45-58)51-41-43-66-62(47-51)60-37-17-19-39-64(60)68(66,54-28-10-3-11-29-54)55-30-12-4-13-31-55/h1-47H
InChIKeyOPDSITWQXKRJSU-UHFFFAOYSA-N
XLogP17.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline 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

N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
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-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline (CID 162510737) is 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline is c1ccc(N(c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2cccc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The InChIKey is OPDSITWQXKRJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-24-52(25-7-1)67(53-26-8-2-9-27-53)63-38-18-16-36-59(63)61-46-50(40-42-65(61)67)48-22-20-34-57(44-48)69(56-32-14-5-15-33-56)58-35-21-23-49(45-58)51-41-43-66-62(47-51)60-37-17-19-39-64(60)68(66,54-28-10-3-11-29-54)55-30-12-4-13-31-55/h1-47H.
What are the key properties of 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline has a molecular weight of 878.13 g/mol, XLogP of 17.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 162510737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).