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

C124H84N10 — CID 158424181

IUPAC1-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccccn2)c2ccc3ccc4c(N(c5ccccc5)c5ccccn5)ccc5ccc2c3c54)cc1.c1ccc(N(c2cccnc2)c2ccc3ccc4c(N(c5ccccc5)c5cccnc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C48H32N2.2C38H26N4/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;1-3-11-29(12-4-1)41(35-15-7-9-25-39-35)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(30-13-5-2-6-14-30)36-16-8-10-26-40-36;1-3-9-29(10-4-1)41(31-13-7-23-39-25-31)35-21-17-27-16-20-34-36(22-18-28-15-19-33(35)37(27)38(28)34)42(30-11-5-2-6-12-30)32-14-8-24-40-26-32/h1-32H;2*1-26H
InChIKeyHAVRFEUBTGWPKO-UHFFFAOYSA-N
MW1714.11 g/mol
LogP34.46
Rot. Bonds18

About 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

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 (PubChem CID 158424181) has the molecular formula C124H84N10 and a molecular weight of 1714.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158424181
Molecular FormulaC124H84N10
Molecular Weight1714.11 g/mol
Exact Mass1712.69
IUPAC Name1-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
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccccn2)c2ccc3ccc4c(N(c5ccccc5)c5ccccn5)ccc5ccc2c3c54)cc1.c1ccc(N(c2cccnc2)c2ccc3ccc4c(N(c5ccccc5)c5cccnc5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C48H32N2.2C38H26N4/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;1-3-11-29(12-4-1)41(35-15-7-9-25-39-35)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(30-13-5-2-6-14-30)36-16-8-10-26-40-36;1-3-9-29(10-4-1)41(31-13-7-23-39-25-31)35-21-17-27-16-20-34-36(22-18-28-15-19-33(35)37(27)38(28)34)42(30-11-5-2-6-12-30)32-14-8-24-40-26-32/h1-32H;2*1-26H
InChIKeyHAVRFEUBTGWPKO-UHFFFAOYSA-N
XLogP34.46
TPSA71.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001714.11
LogP ≤ 534.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-N,6-N-diphenyl-1-N,1-N-dipyridin-2-ylpyrene-1,6-diamine
CID 90756676
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
N-phenyl-N-[6-[9-(4-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]pyren-1-yl]pyridin-3-amine
CID 134167842
6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-1-N-(1,10-phenanthrolin-2-yl)-6-N-phenylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinolin-2-ylpyrene-1,6-diamine;4-(N-[6-(N-pyridin-2-ylanilino)pyren-1-yl]anilino)benzonitrile
CID 157321813
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
2-N,2-N,7-N,7-N-tetrapyridin-2-ylnaphthalene-2,7-diamine
CID 102277389
6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrazin-2-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-pyrimidin-4-ylpyrene-1,6-diamine;6-N-(2-fluorophenyl)-1-N-naphthalen-2-yl-6-N-phenyl-1-N-quinazolin-2-ylpyrene-1,6-diamine
CID 159842642
1-N,6-N-dipyridin-2-yl-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
CID 59309161
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
CID 20710068
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4c(N(c5ccccc5)c5ccc6ccccc6c5)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccccn2)c2ccc3ccc4c(N(c5ccccc5)c5ccccn5)ccc5ccc2c3c54)cc1.c1ccc(N(c2cccnc2)c2ccc3ccc4c(N(c5ccccc5)c5cccnc5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 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?
The InChIKey is HAVRFEUBTGWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.2C38H26N4/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;1-3-11-29(12-4-1)41(35-15-7-9-25-39-35)33-23-19-27-18-22-32-34(24-20-28-17-21-31(33)37(27)38(28)32)42(30-13-5-2-6-14-30)36-16-8-10-26-40-36;1-3-9-29(10-4-1)41(31-13-7-23-39-25-31)35-21-17-27-16-20-34-36(22-18-28-15-19-33(35)37(27)38(28)34)42(30-11-5-2-6-12-30)32-14-8-24-40-26-32/h1-32H;2*1-26H.
What are the key properties of 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?
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 has a molecular weight of 1714.11 g/mol, XLogP of 34.46, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158424181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).