N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine

C75H52N2 — CID 177098438

IUPACN-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2cccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C75H52N2/c1-5-23-54(24-6-1)71-50-60-26-15-16-27-61(60)51-74(71)77(68-44-45-70-69-40-17-18-41-72(69)75(73(70)52-68,62-32-7-2-8-33-62)63-34-9-3-10-35-63)66-39-21-31-59(49-66)56-29-19-28-55(46-56)58-30-20-38-65(48-58)76(64-36-11-4-12-37-64)67-43-42-53-22-13-14-25-57(53)47-67/h1-52H
InChIKeyIGNHKJMWLLAPMS-UHFFFAOYSA-N
MW981.26 g/mol
LogP20.30
Rot. Bonds11

About N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine

N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 177098438) has the molecular formula C75H52N2 and a molecular weight of 981.26 g/mol. Its IUPAC name is N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
PubChem CID177098438
Molecular FormulaC75H52N2
Molecular Weight981.26 g/mol
Exact Mass980.41
IUPAC NameN-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2cccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C75H52N2/c1-5-23-54(24-6-1)71-50-60-26-15-16-27-61(60)51-74(71)77(68-44-45-70-69-40-17-18-41-72(69)75(73(70)52-68,62-32-7-2-8-33-62)63-34-9-3-10-35-63)66-39-21-31-59(49-66)56-29-19-28-55(46-56)58-30-20-38-65(48-58)76(64-36-11-4-12-37-64)67-43-42-53-22-13-14-25-57(53)47-67/h1-52H
InChIKeyIGNHKJMWLLAPMS-UHFFFAOYSA-N
XLogP20.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.26
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
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-[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-(3-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115830
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine (CID 177098438) is N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine is c1ccc(-c2cc3ccccc3cc2N(c2cccc(-c3cccc(-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)c3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is IGNHKJMWLLAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2/c1-5-23-54(24-6-1)71-50-60-26-15-16-27-61(60)51-74(71)77(68-44-45-70-69-40-17-18-41-72(69)75(73(70)52-68,62-32-7-2-8-33-62)63-34-9-3-10-35-63)66-39-21-31-59(49-66)56-29-19-28-55(46-56)58-30-20-38-65(48-58)76(64-36-11-4-12-37-64)67-43-42-53-22-13-14-25-57(53)47-67/h1-52H.
What are the key properties of N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine?
N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 981.26 g/mol, XLogP of 20.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-9,9-diphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 177098438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).