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

C64H52N2 — CID 143986181

IUPAC2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
SMILESCC(C)c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C(C)C)cc5)c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H52N2/c1-43(2)45-23-29-53(30-24-45)65(55-33-27-47-15-11-13-21-51(47)39-55)57-35-37-59-61(41-57)63(49-17-7-5-8-18-49)60-38-36-58(42-62(60)64(59)50-19-9-6-10-20-50)66(54-31-25-46(26-32-54)44(3)4)56-34-28-48-16-12-14-22-52(48)40-56/h5-44H,1-4H3
InChIKeyQICNHXSNMFZVFJ-UHFFFAOYSA-N
MW849.13 g/mol
LogP18.82
Rot. Bonds10

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

2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine (PubChem CID 143986181) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
PubChem CID143986181
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
SMILESCC(C)c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C(C)C)cc5)c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C64H52N2/c1-43(2)45-23-29-53(30-24-45)65(55-33-27-47-15-11-13-21-51(47)39-55)57-35-37-59-61(41-57)63(49-17-7-5-8-18-49)60-38-36-58(42-62(60)64(59)50-19-9-6-10-20-50)66(54-31-25-46(26-32-54)44(3)4)56-34-28-48-16-12-14-22-52(48)40-56/h5-44H,1-4H3
InChIKeyQICNHXSNMFZVFJ-UHFFFAOYSA-N
XLogP18.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 518.82
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-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)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-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
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
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-[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
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine (CID 143986181) is 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine is CC(C)c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C(C)C)cc5)c5ccc6ccccc6c5)ccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine?
The InChIKey is QICNHXSNMFZVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-43(2)45-23-29-53(30-24-45)65(55-33-27-47-15-11-13-21-51(47)39-55)57-35-37-59-61(41-57)63(49-17-7-5-8-18-49)60-38-36-58(42-62(60)64(59)50-19-9-6-10-20-50)66(54-31-25-46(26-32-54)44(3)4)56-34-28-48-16-12-14-22-52(48)40-56/h5-44H,1-4H3.
What are the key properties of 2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine?
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine has a molecular weight of 849.13 g/mol, XLogP of 18.82, 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-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 143986181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).