2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine

C70H48N2 — CID 58855163

IUPAC2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc34)cc2)cc1
InChIInChI=1S/C70H48N2/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)69-65-43-41-64(72(60-27-11-4-12-28-60)62-40-38-52-22-14-16-24-58(52)46-62)48-68(65)70(56-35-31-54(32-36-56)50-19-7-2-8-20-50)66-44-42-63(47-67(66)69)71(59-25-9-3-10-26-59)61-39-37-51-21-13-15-23-57(51)45-61/h1-48H
InChIKeyOKYAOPPGUWNERJ-UHFFFAOYSA-N
MW917.17 g/mol
LogP19.91
Rot. Bonds10

About 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine

2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 58855163) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID58855163
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc34)cc2)cc1
InChIInChI=1S/C70H48N2/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)69-65-43-41-64(72(60-27-11-4-12-28-60)62-40-38-52-22-14-16-24-58(52)46-62)48-68(65)70(56-35-31-54(32-36-56)50-19-7-2-8-20-50)66-44-42-63(47-67(66)69)71(59-25-9-3-10-26-59)61-39-37-51-21-13-15-23-57(51)45-61/h1-48H
InChIKeyOKYAOPPGUWNERJ-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-(3,5-dimethylphenyl)-6-N-naphthalen-2-yl-2-N,2-N,6-N,10-tetraphenylanthracene-2,6-diamine
CID 89061203
6-methyl-N-naphthalen-2-yl-9,10-diphenyl-N-(4-phenylphenyl)anthracen-2-amine
CID 143494720
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine (CID 58855163) is 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine is c1ccc(-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc34)cc2)cc1.
What is the InChIKey of 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is OKYAOPPGUWNERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-5-17-49(18-6-1)53-29-33-55(34-30-53)69-65-43-41-64(72(60-27-11-4-12-28-60)62-40-38-52-22-14-16-24-58(52)46-62)48-68(65)70(56-35-31-54(32-36-56)50-19-7-2-8-20-50)66-44-42-63(47-67(66)69)71(59-25-9-3-10-26-59)61-39-37-51-21-13-15-23-57(51)45-61/h1-48H.
What are the key properties of 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine?
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 917.17 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 58855163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).