N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine

C58H40N2 — CID 58690845

IUPACN,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc5cc6cc(-c7ccc8cc(N(c9ccccc9)c9ccccc9)ccc8c7)ccc6cc5c4)ccc3c2)cc1
InChIInChI=1S/C58H40N2/c1-5-13-53(14-6-1)59(54-15-7-2-8-16-54)57-31-29-45-33-41(23-27-49(45)39-57)43-21-25-47-38-52-36-44(22-26-48(52)37-51(47)35-43)42-24-28-50-40-58(32-30-46(50)34-42)60(55-17-9-3-10-18-55)56-19-11-4-12-20-56/h1-40H
InChIKeyNGLCQXRPCKJEIG-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.57
Rot. Bonds8

About N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine

N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine (PubChem CID 58690845) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
PubChem CID58690845
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc5cc6cc(-c7ccc8cc(N(c9ccccc9)c9ccccc9)ccc8c7)ccc6cc5c4)ccc3c2)cc1
InChIInChI=1S/C58H40N2/c1-5-13-53(14-6-1)59(54-15-7-2-8-16-54)57-31-29-45-33-41(23-27-49(45)39-57)43-21-25-47-38-52-36-44(22-26-48(52)37-51(47)35-43)42-24-28-50-40-58(32-30-46(50)34-42)60(55-17-9-3-10-18-55)56-19-11-4-12-20-56/h1-40H
InChIKeyNGLCQXRPCKJEIG-UHFFFAOYSA-N
XLogP16.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine?
The IUPAC name of N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine (CID 58690845) is N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine?
The canonical SMILES for N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine is c1ccc(N(c2ccccc2)c2ccc3cc(-c4ccc5cc6cc(-c7ccc8cc(N(c9ccccc9)c9ccccc9)ccc8c7)ccc6cc5c4)ccc3c2)cc1.
What is the InChIKey of N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine?
The InChIKey is NGLCQXRPCKJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-5-13-53(14-6-1)59(54-15-7-2-8-16-54)57-31-29-45-33-41(23-27-49(45)39-57)43-21-25-47-38-52-36-44(22-26-48(52)37-51(47)35-43)42-24-28-50-40-58(32-30-46(50)34-42)60(55-17-9-3-10-18-55)56-19-11-4-12-20-56/h1-40H.
What are the key properties of N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine?
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine has a molecular weight of 764.97 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 58690845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).