N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline

C65H45N — CID 166566284

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-22-56(23-5-1)65(57-24-6-2-7-25-57)63-29-13-12-28-61(63)62-41-36-55(45-64(62)65)48-34-39-60(40-35-48)66(58-26-8-3-9-27-58)59-37-32-47(33-38-59)50-18-14-19-51(42-50)52-20-15-21-53(44-52)54-31-30-46-16-10-11-17-49(46)43-54/h1-45H
InChIKeyPMGFWCGIOQNFPV-UHFFFAOYSA-N
MW840.08 g/mol
LogP17.34
Rot. Bonds9

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline (PubChem CID 166566284) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
PubChem CID166566284
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C65H45N/c1-4-22-56(23-5-1)65(57-24-6-2-7-25-57)63-29-13-12-28-61(63)62-41-36-55(45-64(62)65)48-34-39-60(40-35-48)66(58-26-8-3-9-27-58)59-37-32-47(33-38-59)50-18-14-19-51(42-50)52-20-15-21-53(44-52)54-31-30-46-16-10-11-17-49(46)43-54/h1-45H
InChIKeyPMGFWCGIOQNFPV-UHFFFAOYSA-N
XLogP17.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452588
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 160667042
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline (CID 166566284) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
The InChIKey is PMGFWCGIOQNFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-4-22-56(23-5-1)65(57-24-6-2-7-25-57)63-29-13-12-28-61(63)62-41-36-55(45-64(62)65)48-34-39-60(40-35-48)66(58-26-8-3-9-27-58)59-37-32-47(33-38-59)50-18-14-19-51(42-50)52-20-15-21-53(44-52)54-31-30-46-16-10-11-17-49(46)43-54/h1-45H.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline has a molecular weight of 840.08 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 166566284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).