5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

C155H95N11O2S2 — CID 157146870

IUPAC5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESN#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4cnc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2.C52H32N2S2.C51H31N7/c2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;52-31-39-29-38(34-11-3-1-4-12-34)21-24-44(39)57(48-15-7-9-27-54-48)45-25-19-36-18-23-42-46(26-20-37-17-22-41(45)50(36)51(37)42)58(49-16-8-10-28-55-49)47-33-56-43(30-40(47)32-53)35-13-5-2-6-14-35/h2*1-32H;1-30,33H
InChIKeyAKUPBYWKHMZQDP-UHFFFAOYSA-N
MW2207.67 g/mol
LogP44.37
Rot. Bonds20

About 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 157146870) has the molecular formula C155H95N11O2S2 and a molecular weight of 2207.67 g/mol. Its IUPAC name is 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID157146870
Molecular FormulaC155H95N11O2S2
Molecular Weight2207.67 g/mol
Exact Mass2205.71
IUPAC Name5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESN#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4cnc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H32N2O2.C52H32N2S2.C51H31N7/c2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;52-31-39-29-38(34-11-3-1-4-12-34)21-24-44(39)57(48-15-7-9-27-54-48)45-25-19-36-18-23-42-46(26-20-37-17-22-41(45)50(36)51(37)42)58(49-16-8-10-28-55-49)47-33-56-43(30-40(47)32-53)35-13-5-2-6-14-35/h2*1-32H;1-30,33H
InChIKeyAKUPBYWKHMZQDP-UHFFFAOYSA-N
XLogP44.37
TPSA131.97 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.67
LogP ≤ 544.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-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-bis(8-methyldibenzofuran-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;2-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylchrysene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 159221568
1-N,6-N-bis(5-methyl-2-pyridinyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-6-N-naphthalen-1-yl-1-N-phenyl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine;2-[[6-(2-isocyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-5-phenylbenzonitrile;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 165048300
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
CID 168737976
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-dibenzothiophen-2-yl-N-pyren-1-ylnaphtho[1,2-b][1]benzofuran-10-amine;N-naphtho[2,1-b][1]benzothiol-6-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine;N-naphtho[1,2-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 160931392
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163970768

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 157146870) is 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is N#Cc1cc(-c2ccccc2)ccc1N(c1ccccn1)c1ccc2ccc3c(N(c4ccccn4)c4cnc(-c5ccccc5)cc4C#N)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is AKUPBYWKHMZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2.C52H32N2S2.C51H31N7/c2*1-3-13-35(14-4-1)53(45-21-11-19-39-37-17-7-9-23-47(37)55-51(39)45)43-31-27-33-26-30-42-44(32-28-34-25-29-41(43)49(33)50(34)42)54(36-15-5-2-6-16-36)46-22-12-20-40-38-18-8-10-24-48(38)56-52(40)46;52-31-39-29-38(34-11-3-1-4-12-34)21-24-44(39)57(48-15-7-9-27-54-48)45-25-19-36-18-23-42-46(26-20-37-17-22-41(45)50(36)51(37)42)58(49-16-8-10-28-55-49)47-33-56-43(30-40(47)32-53)35-13-5-2-6-14-35/h2*1-32H;1-30,33H.
What are the key properties of 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 2207.67 g/mol, XLogP of 44.37, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-cyano-4-phenyl-N-pyridin-2-ylanilino)pyren-1-yl]-pyridin-2-ylamino]-2-phenylpyridine-4-carbonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 157146870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).