1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine

C48H34N2 — CID 168814072

IUPAC1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine
SMILESC1=CC(N(c2ccccc2)c2ccc3ccccc3c2)C2=CCc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34
InChIInChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-21,23-32,46H,22H2
InChIKeyMUTCJPJWFWIXCX-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.79
Rot. Bonds6

About 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine

1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine (PubChem CID 168814072) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine
PubChem CID168814072
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine
SMILESC1=CC(N(c2ccccc2)c2ccc3ccccc3c2)C2=CCc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34
InChIInChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-21,23-32,46H,22H2
InChIKeyMUTCJPJWFWIXCX-UHFFFAOYSA-N
XLogP12.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-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

1-N,1-N,6-N,6-N-tetraphenyl-1,9-dihydropyrene-1,6-diamine
CID 142730175
1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine
CID 168814076
4-(1,9-dihydropyren-1-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-(1,9-dihydropyren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(1,9-dihydropyren-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-1,9-dihydropyren-1-yl]aniline;N-naphthalen-2-yl-N-[4-[6-[4-(N-phenylanilino)phenyl]-4,6-dihydropyren-1-yl]phenyl]naphthalen-2-amine
CID 158695112
4-(1,9-dihydropyren-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 123258415
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N,9-N-dinaphthalen-2-yl-1-N,9-N-diphenylchrysene-1,9-diamine
CID 170410643
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167
6-(2,3-dihydroindol-1-yl)-N-naphthalen-2-yl-N-phenylpyren-1-amine
CID 90055282
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine (CID 168814072) is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine is C1=CC(N(c2ccccc2)c2ccc3ccccc3c2)C2=CCc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34.
What is the InChIKey of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine?
The InChIKey is MUTCJPJWFWIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-21,23-32,46H,22H2.
What are the key properties of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine?
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine has a molecular weight of 638.81 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-1,9-dihydropyrene-1,6-diamine is sourced from PubChem (CID 168814072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).