9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine

C57H42N2 — CID 59221626

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cccc34)cc21
InChIInChI=1S/C57H42N2/c1-57(2)53-26-11-10-22-50(53)51-36-35-46(38-54(51)57)59(55-27-12-18-40-16-8-9-21-48(40)55)56-28-14-24-49-47(23-13-25-52(49)56)41-30-32-44(33-31-41)58(43-19-4-3-5-20-43)45-34-29-39-15-6-7-17-42(39)37-45/h3-38H,1-2H3
InChIKeyCSAUUNUEGQUCHR-UHFFFAOYSA-N
MW754.98 g/mol
LogP16.06
Rot. Bonds7

About 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine (PubChem CID 59221626) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
PubChem CID59221626
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cccc34)cc21
InChIInChI=1S/C57H42N2/c1-57(2)53-26-11-10-22-50(53)51-36-35-46(38-54(51)57)59(55-27-12-18-40-16-8-9-21-48(40)55)56-28-14-24-49-47(23-13-25-52(49)56)41-30-32-44(33-31-41)58(43-19-4-3-5-20-43)45-34-29-39-15-6-7-17-42(39)37-45/h3-38H,1-2H3
InChIKeyCSAUUNUEGQUCHR-UHFFFAOYSA-N
XLogP16.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491
9,9-dimethyl-N,7-dinaphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]phenanthren-9-amine;9,9-dimethyl-7-naphthalen-1-yl-N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-naphthalen-1-yl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159564586

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine (CID 59221626) is 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
The InChIKey is CSAUUNUEGQUCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)53-26-11-10-22-50(53)51-36-35-46(38-54(51)57)59(55-27-12-18-40-16-8-9-21-48(40)55)56-28-14-24-49-47(23-13-25-52(49)56)41-30-32-44(33-31-41)58(43-19-4-3-5-20-43)45-34-29-39-15-6-7-17-42(39)37-45/h3-38H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine has a molecular weight of 754.98 g/mol, XLogP of 16.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 59221626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).