6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine

C38H26N4 — CID 90756676

IUPAC6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccn5)c5ccccn5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C38H26N4/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(35-15-7-9-25-39-35)36-16-8-10-26-40-36/h1-26H
InChIKeyPQDSWMDFFQQZDK-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.31
Rot. Bonds6

About 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine

6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine (PubChem CID 90756676) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
PubChem CID90756676
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccn5)c5ccccn5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C38H26N4/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(35-15-7-9-25-39-35)36-16-8-10-26-40-36/h1-26H
InChIKeyPQDSWMDFFQQZDK-UHFFFAOYSA-N
XLogP10.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-dipyridin-3-ylpyrene-1,6-diamine
CID 158424181
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
CID 59309161
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
N-(6-bromopyren-1-yl)-N-phenylpyrimidin-2-amine;N-phenylaniline;1-N,6-N,6-N-triphenyl-1-N-pyrimidin-2-ylpyrene-1,6-diamine
CID 160785700
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
1-N,6-N-diphenyl-3,8-bis(2-phenylphenyl)-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine
CID 58383820
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
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine?
The IUPAC name of 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine (CID 90756676) is 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine.
What is the SMILES notation for 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine?
The canonical SMILES for 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine is c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccn5)c5ccccn5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine?
The InChIKey is PQDSWMDFFQQZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-11-29(12-4-1)41(30-13-5-2-6-14-30)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(35-15-7-9-25-39-35)36-16-8-10-26-40-36/h1-26H.
What are the key properties of 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine?
6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine has a molecular weight of 538.65 g/mol, XLogP of 10.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine is sourced from PubChem (CID 90756676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).