N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine

C67H46N2 — CID 166008466

IUPACN-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc(N(c6cccc7c6Cc6ccccc6-7)c6cccc7ccccc67)cc5)ccc5ccccc45)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C67H46N2/c1-2-15-46(16-3-1)47-31-38-54(39-32-47)68(64-28-12-21-48-17-4-9-24-58(48)64)55-42-35-52(36-43-55)67-60-26-11-6-19-50(60)37-44-61(67)51-33-40-56(41-34-51)69(65-29-13-22-49-18-5-10-25-59(49)65)66-30-14-27-62-57-23-8-7-20-53(57)45-63(62)66/h1-44H,45H2
InChIKeyPJMJVDYVGRVEGB-UHFFFAOYSA-N
MW879.12 g/mol
LogP18.66
Rot. Bonds9

About N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine

N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine (PubChem CID 166008466) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
PubChem CID166008466
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC NameN-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc(N(c6cccc7c6Cc6ccccc6-7)c6cccc7ccccc67)cc5)ccc5ccccc45)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C67H46N2/c1-2-15-46(16-3-1)47-31-38-54(39-32-47)68(64-28-12-21-48-17-4-9-24-58(48)64)55-42-35-52(36-43-55)67-60-26-11-6-19-50(60)37-44-61(67)51-33-40-56(41-34-51)69(65-29-13-22-49-18-5-10-25-59(49)65)66-30-14-27-62-57-23-8-7-20-53(57)45-63(62)66/h1-44H,45H2
InChIKeyPJMJVDYVGRVEGB-UHFFFAOYSA-N
XLogP18.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]-9H-fluoren-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-amine
CID 167596177
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 172527140
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)triphenylen-1-amine
CID 167265700
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
CID 172527346

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine (CID 166008466) is N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccc(N(c6cccc7c6Cc6ccccc6-7)c6cccc7ccccc67)cc5)ccc5ccccc45)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine?
The InChIKey is PJMJVDYVGRVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-2-15-46(16-3-1)47-31-38-54(39-32-47)68(64-28-12-21-48-17-4-9-24-58(48)64)55-42-35-52(36-43-55)67-60-26-11-6-19-50(60)37-44-61(67)51-33-40-56(41-34-51)69(65-29-13-22-49-18-5-10-25-59(49)65)66-30-14-27-62-57-23-8-7-20-53(57)45-63(62)66/h1-44H,45H2.
What are the key properties of N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine?
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine has a molecular weight of 879.12 g/mol, XLogP of 18.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine is sourced from PubChem (CID 166008466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).