3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine

C51H40N2 — CID 70971881

IUPAC3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine
SMILESCC1=CC(C)(N(c2ccccc2)c2ccc3ccccc3c2)C2C=Cc3c(C)cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34
InChIInChI=1S/C51H40N2/c1-34-30-48(52(40-18-6-4-7-19-40)42-24-22-36-14-10-12-16-38(36)31-42)46-27-26-45-35(2)33-51(3,47-29-28-44(34)49(46)50(45)47)53(41-20-8-5-9-21-41)43-25-23-37-15-11-13-17-39(37)32-43/h4-33,47H,1-3H3
InChIKeyJSSNEYWAOHNXCT-UHFFFAOYSA-N
MW680.90 g/mol
LogP14.05
Rot. Bonds6

About 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine

3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine (PubChem CID 70971881) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine.

Molecular Properties

Compound Name3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine
PubChem CID70971881
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine
SMILESCC1=CC(C)(N(c2ccccc2)c2ccc3ccccc3c2)C2C=Cc3c(C)cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34
InChIInChI=1S/C51H40N2/c1-34-30-48(52(40-18-6-4-7-19-40)42-24-22-36-14-10-12-16-38(36)31-42)46-27-26-45-35(2)33-51(3,47-29-28-44(34)49(46)50(45)47)53(41-20-8-5-9-21-41)43-25-23-37-15-11-13-17-39(37)32-43/h4-33,47H,1-3H3
InChIKeyJSSNEYWAOHNXCT-UHFFFAOYSA-N
XLogP14.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-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,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
6-bis(2,4,6-trimethylphenyl)boranyl-3,8-dimethyl-N-naphthalen-2-yl-N-phenylpyren-1-amine
CID 140727779
6-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-3,8-dimethyl-1-N-naphthalen-2-yl-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 118547519
9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 134432391
3,8-difluoro-1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 176881708
6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 59515013
9,9-dimethyl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-2-N-phenanthren-9-yl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 162265706
1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine
CID 167227071
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-5-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 58121806
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine
CID 59282237

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine?
The IUPAC name of 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine (CID 70971881) is 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine.
What is the SMILES notation for 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine?
The canonical SMILES for 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine is CC1=CC(C)(N(c2ccccc2)c2ccc3ccccc3c2)C2C=Cc3c(C)cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccc1c2c34.
What is the InChIKey of 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine?
The InChIKey is JSSNEYWAOHNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-34-30-48(52(40-18-6-4-7-19-40)42-24-22-36-14-10-12-16-38(36)31-42)46-27-26-45-35(2)33-51(3,47-29-28-44(34)49(46)50(45)47)53(41-20-8-5-9-21-41)43-25-23-37-15-11-13-17-39(37)32-43/h4-33,47H,1-3H3.
What are the key properties of 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine?
3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine has a molecular weight of 680.90 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyl-1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-5aH-pyrene-1,6-diamine is sourced from PubChem (CID 70971881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).