(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine

C79H90N12 — CID 161047658

IUPAC(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
SMILESC.C.C.Cc1cccc(N[C@@H]2CCCC[C@H]2Nc2cccc(C)n2)n1.c1cc(N[C@@H]2CCCC[C@H]2Nc2ccc3ccccc3n2)nc(-c2c3ccccc3cc3ccccc23)c1.c1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C34H30N4.C24H24N4.C18H24N4.3CH4/c1-4-13-26-24(11-1)22-25-12-2-5-14-27(25)34(26)31-18-9-19-32(38-31)36-29-16-7-8-17-30(29)37-33-21-20-23-10-3-6-15-28(23)35-33;1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24;1-13-7-5-11-17(19-13)21-15-9-3-4-10-16(15)22-18-12-6-8-14(2)20-18;;;/h1-6,9-15,18-22,29-30H,7-8,16-17H2,(H,35,37)(H,36,38);1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28);5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,19,21)(H,20,22);3*1H4/t29-,30-;21-,22-;15-,16-;;;/m111.../s1
InChIKeyUBSBRVSTURIFCT-IZOMAOMYSA-N
MW1207.67 g/mol
LogP19.89
Rot. Bonds13

About (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine

(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine (PubChem CID 161047658) has the molecular formula C79H90N12 and a molecular weight of 1207.67 g/mol. Its IUPAC name is (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
PubChem CID161047658
Molecular FormulaC79H90N12
Molecular Weight1207.67 g/mol
Exact Mass1206.74
IUPAC Name(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
SMILESC.C.C.Cc1cccc(N[C@@H]2CCCC[C@H]2Nc2cccc(C)n2)n1.c1cc(N[C@@H]2CCCC[C@H]2Nc2ccc3ccccc3n2)nc(-c2c3ccccc3cc3ccccc23)c1.c1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C34H30N4.C24H24N4.C18H24N4.3CH4/c1-4-13-26-24(11-1)22-25-12-2-5-14-27(25)34(26)31-18-9-19-32(38-31)36-29-16-7-8-17-30(29)37-33-21-20-23-10-3-6-15-28(23)35-33;1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24;1-13-7-5-11-17(19-13)21-15-9-3-4-10-16(15)22-18-12-6-8-14(2)20-18;;;/h1-6,9-15,18-22,29-30H,7-8,16-17H2,(H,35,37)(H,36,38);1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28);5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,19,21)(H,20,22);3*1H4/t29-,30-;21-,22-;15-,16-;;;/m111.../s1
InChIKeyUBSBRVSTURIFCT-IZOMAOMYSA-N
XLogP19.89
TPSA149.52 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001207.67
LogP ≤ 519.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine (CID 161047658) is (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine is C.C.C.Cc1cccc(N[C@@H]2CCCC[C@H]2Nc2cccc(C)n2)n1.c1cc(N[C@@H]2CCCC[C@H]2Nc2ccc3ccccc3n2)nc(-c2c3ccccc3cc3ccccc23)c1.c1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is UBSBRVSTURIFCT-IZOMAOMYSA-N. The full InChI is InChI=1S/C34H30N4.C24H24N4.C18H24N4.3CH4/c1-4-13-26-24(11-1)22-25-12-2-5-14-27(25)34(26)31-18-9-19-32(38-31)36-29-16-7-8-17-30(29)37-33-21-20-23-10-3-6-15-28(23)35-33;1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24;1-13-7-5-11-17(19-13)21-15-9-3-4-10-16(15)22-18-12-6-8-14(2)20-18;;;/h1-6,9-15,18-22,29-30H,7-8,16-17H2,(H,35,37)(H,36,38);1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28);5-8,11-12,15-16H,3-4,9-10H2,1-2H3,(H,19,21)(H,20,22);3*1H4/t29-,30-;21-,22-;15-,16-;;;/m111.../s1.
What are the key properties of (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
(1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 1207.67 g/mol, XLogP of 19.89, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-N-(6-anthracen-9-yl-2-pyridinyl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine;methane;trans-(1R,2R)-1-N,2-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 161047658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).