5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline

C157H133N13OS — CID 161408705

IUPAC5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline
SMILESC1=CC2C(C=C1Cc1cccc(-c3ccccn3)c1)c1ncccc1N2c1ccccc1.CC1(C)Oc2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc21.CC1(C)c2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc2C1(C)C.CC1(C)c2cccnc2C2C=C(Cc3cccc(-c4ccccn4)c3)C=CC21.Cc1cnc(-c2cccc(Cc3cccc(-c4ccccc4)c3)n2)s1.c1ccc(-c2cccc(Cc3ccc4ccc5cccnc5c4c3)c2)nc1
InChIInChI=1S/C29H23N3.C29H28N2.C26H22N2O.C26H24N2.C25H18N2.C22H18N2S/c1-2-10-24(11-3-1)32-27-15-14-22(20-25(27)29-28(32)13-7-17-31-29)18-21-8-6-9-23(19-21)26-12-4-5-16-30-26;1-28(2)24-14-13-21(19-23(24)27-25(29(28,3)4)11-8-16-31-27)17-20-9-7-10-22(18-20)26-12-5-6-15-30-26;1-26(2)22-9-6-14-28-25(22)21-17-19(11-12-24(21)29-26)15-18-7-5-8-20(16-18)23-10-3-4-13-27-23;1-26(2)22-12-11-19(17-21(22)25-23(26)9-6-14-28-25)15-18-7-5-8-20(16-18)24-10-3-4-13-27-24;1-2-13-26-24(8-1)22-6-3-5-18(16-22)15-19-9-10-20-11-12-21-7-4-14-27-25(21)23(20)17-19;1-16-15-23-22(25-16)21-12-6-11-20(24-21)14-17-7-5-10-19(13-17)18-8-3-2-4-9-18/h1-17,19-20,25,27H,18H2;5-16,18-19H,17H2,1-4H3;3-14,16-17H,15H2,1-2H3;3-14,16-17,21-22H,15H2,1-2H3;1-14,16-17H,15H2;2-13,15H,14H2,1H3
InChIKeyVVENXEQXSHFIPC-UHFFFAOYSA-N
MW2249.95 g/mol
LogP37.17
Rot. Bonds20

About 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline

5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline (PubChem CID 161408705) has the molecular formula C157H133N13OS and a molecular weight of 2249.95 g/mol. Its IUPAC name is 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline.

Molecular Properties

Compound Name5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline
PubChem CID161408705
Molecular FormulaC157H133N13OS
Molecular Weight2249.95 g/mol
Exact Mass2248.05
IUPAC Name5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline
SMILESC1=CC2C(C=C1Cc1cccc(-c3ccccn3)c1)c1ncccc1N2c1ccccc1.CC1(C)Oc2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc21.CC1(C)c2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc2C1(C)C.CC1(C)c2cccnc2C2C=C(Cc3cccc(-c4ccccn4)c3)C=CC21.Cc1cnc(-c2cccc(Cc3cccc(-c4ccccc4)c3)n2)s1.c1ccc(-c2cccc(Cc3ccc4ccc5cccnc5c4c3)c2)nc1
InChIInChI=1S/C29H23N3.C29H28N2.C26H22N2O.C26H24N2.C25H18N2.C22H18N2S/c1-2-10-24(11-3-1)32-27-15-14-22(20-25(27)29-28(32)13-7-17-31-29)18-21-8-6-9-23(19-21)26-12-4-5-16-30-26;1-28(2)24-14-13-21(19-23(24)27-25(29(28,3)4)11-8-16-31-27)17-20-9-7-10-22(18-20)26-12-5-6-15-30-26;1-26(2)22-9-6-14-28-25(22)21-17-19(11-12-24(21)29-26)15-18-7-5-8-20(16-18)23-10-3-4-13-27-23;1-26(2)22-12-11-19(17-21(22)25-23(26)9-6-14-28-25)15-18-7-5-8-20(16-18)24-10-3-4-13-27-24;1-2-13-26-24(8-1)22-6-3-5-18(16-22)15-19-9-10-20-11-12-21-7-4-14-27-25(21)23(20)17-19;1-16-15-23-22(25-16)21-12-6-11-20(24-21)14-17-7-5-10-19(13-17)18-8-3-2-4-9-18/h1-17,19-20,25,27H,18H2;5-16,18-19H,17H2,1-4H3;3-14,16-17H,15H2,1-2H3;3-14,16-17,21-22H,15H2,1-2H3;1-14,16-17H,15H2;2-13,15H,14H2,1H3
InChIKeyVVENXEQXSHFIPC-UHFFFAOYSA-N
XLogP37.17
TPSA167.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002249.95
LogP ≤ 537.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline with MolForge

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Related Compounds

3-(6H-benzo[c]chromen-10-yl)-6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dimethylcyclohexen-1-yl]-[1]benzothiolo[2,3-c]quinoline
CID 146489155
3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655974
3-Naphthalen-1-yl-7-[10-(1,10-phenanthrolin-5-yl)-15-phenyl-1-(4-phenylphenyl)-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl]-2-(1-phenyl-13-oxapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 156106526
CID 156374640
CID 156374640
CID 157071809
CID 157071809
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole
CID 157123871
CID 157181697
CID 157181697
14,14-Dimethyl-18,19-dipyridin-3-yl-17-thia-3,6-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8,10,12,16(20),18,21-decaene;21-(3,5-dimethyl-2-pyridinyl)-17,17-dimethyl-14-oxa-19-azapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(22),2,4,6,8,10,12,15,18,20-decaene;18-ethyl-14,14-dimethyl-3,6-diphenyl-17-thia-11,19-diazapentacyclo[13.7.0.02,7.08,13.016,20]docosa-1(15),2,4,6,8(13),9,11,16(20),18,21-decaene
CID 157363380
CID 157539555
CID 157539555
2-tert-butyl-1,3-dihydroisoindole;4-tert-butyl-2-(2,3-dihydrothiophen-5-yl)quinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;2-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157680647
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-4,5-dihydro-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;methane
CID 157876863
2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butylisoquinoline;4-tert-butyl-2-phenylquinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydro-7H-cyclopenta[h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-ylquinoline;2-(4-tert-butylquinolin-2-yl)-1,3-thiazole;4-(4-tert-butylquinolin-2-yl)-1,3-thiazole;methane
CID 158159868

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline?
The IUPAC name of 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline (CID 161408705) is 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline.
What is the SMILES notation for 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline?
The canonical SMILES for 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline is C1=CC2C(C=C1Cc1cccc(-c3ccccn3)c1)c1ncccc1N2c1ccccc1.CC1(C)Oc2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc21.CC1(C)c2ccc(Cc3cccc(-c4ccccn4)c3)cc2-c2ncccc2C1(C)C.CC1(C)c2cccnc2C2C=C(Cc3cccc(-c4ccccn4)c3)C=CC21.Cc1cnc(-c2cccc(Cc3cccc(-c4ccccc4)c3)n2)s1.c1ccc(-c2cccc(Cc3ccc4ccc5cccnc5c4c3)c2)nc1.
What is the InChIKey of 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline?
The InChIKey is VVENXEQXSHFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3.C29H28N2.C26H22N2O.C26H24N2.C25H18N2.C22H18N2S/c1-2-10-24(11-3-1)32-27-15-14-22(20-25(27)29-28(32)13-7-17-31-29)18-21-8-6-9-23(19-21)26-12-4-5-16-30-26;1-28(2)24-14-13-21(19-23(24)27-25(29(28,3)4)11-8-16-31-27)17-20-9-7-10-22(18-20)26-12-5-6-15-30-26;1-26(2)22-9-6-14-28-25(22)21-17-19(11-12-24(21)29-26)15-18-7-5-8-20(16-18)23-10-3-4-13-27-23;1-26(2)22-12-11-19(17-21(22)25-23(26)9-6-14-28-25)15-18-7-5-8-20(16-18)24-10-3-4-13-27-24;1-2-13-26-24(8-1)22-6-3-5-18(16-22)15-19-9-10-20-11-12-21-7-4-14-27-25(21)23(20)17-19;1-16-15-23-22(25-16)21-12-6-11-20(24-21)14-17-7-5-10-19(13-17)18-8-3-2-4-9-18/h1-17,19-20,25,27H,18H2;5-16,18-19H,17H2,1-4H3;3-14,16-17H,15H2,1-2H3;3-14,16-17,21-22H,15H2,1-2H3;1-14,16-17H,15H2;2-13,15H,14H2,1H3.
What are the key properties of 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline?
5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline has a molecular weight of 2249.95 g/mol, XLogP of 37.17, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydroindeno[1,2-b]pyridine;5,5-dimethyl-9-[(3-pyridin-2-ylphenyl)methyl]chromeno[4,3-b]pyridine;5-methyl-2-[6-[(3-phenylphenyl)methyl]-2-pyridinyl]-1,3-thiazole;5-phenyl-8-[(3-pyridin-2-ylphenyl)methyl]-5a,9a-dihydropyrido[3,2-b]indole;9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline;5,5,6,6-tetramethyl-9-[(3-pyridin-2-ylphenyl)methyl]benzo[h]quinoline is sourced from PubChem (CID 161408705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).