1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine

C55H39N3 — CID 168813974

IUPAC1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine
SMILESC1=C(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccccn4)cc(-c4ccccc4)c4c3c2C(=CC4)C1N(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C55H39N3/c1-5-18-39(19-6-1)48-36-51(57(41-24-9-3-10-25-41)50-29-17-23-38-22-13-14-28-43(38)50)46-33-31-45-49(40-20-7-2-8-21-40)37-52(47-34-32-44(48)54(46)55(45)47)58(42-26-11-4-12-27-42)53-30-15-16-35-56-53/h1-30,32-37,51H,31H2
InChIKeyGGACZMVJJKJVFT-UHFFFAOYSA-N
MW741.94 g/mol
LogP14.12
Rot. Bonds8

About 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine

1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine (PubChem CID 168813974) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine
PubChem CID168813974
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Name1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine
SMILESC1=C(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccccn4)cc(-c4ccccc4)c4c3c2C(=CC4)C1N(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C55H39N3/c1-5-18-39(19-6-1)48-36-51(57(41-24-9-3-10-25-41)50-29-17-23-38-22-13-14-28-43(38)50)46-33-31-45-49(40-20-7-2-8-21-40)37-52(47-34-32-44(48)54(46)55(45)47)58(42-26-11-4-12-27-42)53-30-15-16-35-56-53/h1-30,32-37,51H,31H2
InChIKeyGGACZMVJJKJVFT-UHFFFAOYSA-N
XLogP14.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-naphthalen-1-yl-6-N-naphthalen-2-yl-6-N-phenyl-3,8-di(propan-2-yl)-1-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine
CID 168814093
3,8-dimethyl-1-N,6-N,6-N-triphenyl-1-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine
CID 168814008
6-N-isoquinolin-3-yl-3,8-dimethyl-1-N,1-N,6-N-triphenyl-1,9-dihydropyrene-1,6-diamine
CID 168814009
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
1-N,6-N-diphenyl-3,8-bis(2-phenylphenyl)-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine
CID 58383820
9,10-dimethyl-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855180
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
N-naphthalen-1-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-naphthalen-2-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-phenanthren-9-yl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-phenyl-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine;N-(2-phenylphenyl)-N-[10-(2-phenylphenyl)anthracen-9-yl]pyridin-2-amine
CID 160580766
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
2,4-ditert-butyl-6-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
3,8-dimethyl-1-N,6-N-dinaphthalen-1-yl-1-N-phenyl-6-N-pyridin-2-ylpyrene-1,6-diamine;3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaene;9-phenyl-10-(10-phenylanthracen-9-yl)anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 161326583

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine?
The IUPAC name of 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine (CID 168813974) is 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine.
What is the SMILES notation for 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine?
The canonical SMILES for 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine is C1=C(c2ccccc2)c2ccc3c(N(c4ccccc4)c4ccccn4)cc(-c4ccccc4)c4c3c2C(=CC4)C1N(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine?
The InChIKey is GGACZMVJJKJVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-5-18-39(19-6-1)48-36-51(57(41-24-9-3-10-25-41)50-29-17-23-38-22-13-14-28-43(38)50)46-33-31-45-49(40-20-7-2-8-21-40)37-52(47-34-32-44(48)54(46)55(45)47)58(42-26-11-4-12-27-42)53-30-15-16-35-56-53/h1-30,32-37,51H,31H2.
What are the key properties of 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine?
1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine has a molecular weight of 741.94 g/mol, XLogP of 14.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-1-N,6-N,3,8-tetraphenyl-6-N-pyridin-2-yl-1,9-dihydropyrene-1,6-diamine is sourced from PubChem (CID 168813974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).