2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole

C72H54N10O2 — CID 163813224

IUPAC2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
SMILESCC1=CC2C(C=N1)c1cc(C3=CCCC(c4ncccc4C4C=CC=CC4)=N3)ccc1N2c1coc(-c2ccc3c(c2)C=CC(c2nc(-n4c5ccc(-c6cccc(-c7ncccc7-c7ccccc7)n6)cc5c5cnc(C)cc54)co2)C3)n1
InChIInChI=1S/C72H54N10O2/c1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46/h3-9,11-15,17-21,23-34,36-42,46,51,58,66H,10,16,22,35H2,1-2H3
InChIKeyNPCFNYOZVYXBPA-UHFFFAOYSA-N
MW1091.29 g/mol
LogP16.49
Rot. Bonds10

About 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole

2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole (PubChem CID 163813224) has the molecular formula C72H54N10O2 and a molecular weight of 1091.29 g/mol. Its IUPAC name is 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
PubChem CID163813224
Molecular FormulaC72H54N10O2
Molecular Weight1091.29 g/mol
Exact Mass1090.44
IUPAC Name2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
SMILESCC1=CC2C(C=N1)c1cc(C3=CCCC(c4ncccc4C4C=CC=CC4)=N3)ccc1N2c1coc(-c2ccc3c(c2)C=CC(c2nc(-n4c5ccc(-c6cccc(-c7ncccc7-c7ccccc7)n6)cc5c5cnc(C)cc54)co2)C3)n1
InChIInChI=1S/C72H54N10O2/c1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46/h3-9,11-15,17-21,23-34,36-42,46,51,58,66H,10,16,22,35H2,1-2H3
InChIKeyNPCFNYOZVYXBPA-UHFFFAOYSA-N
XLogP16.49
TPSA136.51 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.29
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole with MolForge

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Related Compounds

1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
CID 157132649
5-[8-[3,6-bis(2-pyridin-2-ylphenyl)-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]-8-(2-phenylphenyl)pyrido[3,2-b]indole
CID 163601056
9-[2-(4-tert-butylphenyl)-6-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 146707015
3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
12-cyclohexa-2,4-dien-1-yl-14-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-16-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 70809031
5-[2-(4a,9a-dihydrocarbazol-9-yl)-6-methyl-4-pyridinyl]-12-[2-(5,6-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-4-pyridinyl]indolo[3,2-c]carbazole
CID 170205692
9-phenyl-3-[9-(4-phenylquinolin-2-yl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 166750436
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 137467005
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
14-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-6-phenyl-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 70808922
12-[4-[8-[3-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4-naphthalen-2-yl-5,6-dihydro-1,3-diazocin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,9,13,17,19-octaene
CID 174004524
10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 146581785

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole (CID 163813224) is 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole is CC1=CC2C(C=N1)c1cc(C3=CCCC(c4ncccc4C4C=CC=CC4)=N3)ccc1N2c1coc(-c2ccc3c(c2)C=CC(c2nc(-n4c5ccc(-c6cccc(-c7ncccc7-c7ccccc7)n6)cc5c5cnc(C)cc54)co2)C3)n1.
What is the InChIKey of 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole?
The InChIKey is NPCFNYOZVYXBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N10O2/c1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46/h3-9,11-15,17-21,23-34,36-42,46,51,58,66H,10,16,22,35H2,1-2H3.
What are the key properties of 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole?
2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole has a molecular weight of 1091.29 g/mol, XLogP of 16.49, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[8-[2-(3-cyclohexa-2,4-dien-1-yl-2-pyridinyl)-3,4-dihydropyridin-6-yl]-3-methyl-4a,9b-dihydropyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]-1,2-dihydronaphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole is sourced from PubChem (CID 163813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).