benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole

C79H56N10O2 — CID 144783159

IUPACbenzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole
SMILESCC1=C=Cc2c(c3c(n2-c2coc(C4=Cc5ccc(-c6nc(N7C8=C=C(C=NC(C)=C8)C8=C7C=C[C@@H](c7cccc(-c9ncccc9C)n7)C8)co6)cc5C=C=C4)n2)C=CCC(C2=NC(c4ncccc4-c4ccccc4C)=CC=C=C2)=C3)C=N1.c1ccccc1
InChIInChI=1S/C73H50N10O2.C6H6/c1-44-14-5-6-19-56(44)57-20-13-33-75-71(57)64-22-8-7-21-61(79-64)50-17-10-25-65-59(39-50)60-41-77-46(3)26-30-67(60)83(65)69-43-85-72(81-69)52-18-9-16-48-35-53(28-27-49(48)36-52)73-80-68(42-84-73)82-55-34-47(4)76-40-54(37-55)58-38-51(29-31-66(58)82)62-23-11-24-63(78-62)70-45(2)15-12-32-74-70;1-2-4-6-5-3-1/h5-6,8,10-16,18-25,27-36,39-43,51H,17,38H2,1-4H3;1-6H/t51-;/m1./s1
InChIKeyRFJHLEJYNRPVHQ-GLOFXQGCSA-N
MW1177.38 g/mol
LogP17.84
Rot. Bonds9

About benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole

benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole (PubChem CID 144783159) has the molecular formula C79H56N10O2 and a molecular weight of 1177.38 g/mol. Its IUPAC name is benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole.

Molecular Properties

Compound Namebenzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole
PubChem CID144783159
Molecular FormulaC79H56N10O2
Molecular Weight1177.38 g/mol
Exact Mass1176.46
IUPAC Namebenzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole
SMILESCC1=C=Cc2c(c3c(n2-c2coc(C4=Cc5ccc(-c6nc(N7C8=C=C(C=NC(C)=C8)C8=C7C=C[C@@H](c7cccc(-c9ncccc9C)n7)C8)co6)cc5C=C=C4)n2)C=CCC(C2=NC(c4ncccc4-c4ccccc4C)=CC=C=C2)=C3)C=N1.c1ccccc1
InChIInChI=1S/C73H50N10O2.C6H6/c1-44-14-5-6-19-56(44)57-20-13-33-75-71(57)64-22-8-7-21-61(79-64)50-17-10-25-65-59(39-50)60-41-77-46(3)26-30-67(60)83(65)69-43-85-72(81-69)52-18-9-16-48-35-53(28-27-49(48)36-52)73-80-68(42-84-73)82-55-34-47(4)76-40-54(37-55)58-38-51(29-31-66(58)82)62-23-11-24-63(78-62)70-45(2)15-12-32-74-70;1-2-4-6-5-3-1/h5-6,8,10-16,18-25,27-36,39-43,51H,17,38H2,1-4H3;1-6H/t51-;/m1./s1
InChIKeyRFJHLEJYNRPVHQ-GLOFXQGCSA-N
XLogP17.84
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.38
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-4-yl)-N-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056714
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 138559098
US10899769, Example 66
CID 139558327
1-[2-[4-(2-Fluoroethyl)piperazin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 147090488
7-[2-[1-(2-Hydroxyethyl)isoquinolin-6-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098818
7-[5-(4-Fluorophenyl)-2-[1-(2-hydroxyethyl)isoquinolin-6-yl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098883
7-[5-(4-fluorophenyl)-2-(1-methylisoquinolin-6-yl)-1,3-oxazol-4-yl]spiro[6H-1,7-naphthyridine-5,1'-cyclopropane]-8-one
CID 171098893
7-[2-[1-(2-Oxopropyl)isoquinolin-6-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098914
7-[2-[1-(2-Hydroxypropyl)isoquinolin-6-yl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171099099
7-[2-(1-Methylisoquinolin-6-yl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171099120
2-[6-[5-(4-Fluorophenyl)-4-(8-oxo-1,7-naphthyridin-7-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]acetaldehyde
CID 171099149
7-[2-[1-[(E)-2-ethoxyethenyl]isoquinolin-6-yl]-5-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171099180

Frequently Asked Questions

What is the IUPAC name of benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole?
The IUPAC name of benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole (CID 144783159) is benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole.
What is the SMILES notation for benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole?
The canonical SMILES for benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole is CC1=C=Cc2c(c3c(n2-c2coc(C4=Cc5ccc(-c6nc(N7C8=C=C(C=NC(C)=C8)C8=C7C=C[C@@H](c7cccc(-c9ncccc9C)n7)C8)co6)cc5C=C=C4)n2)C=CCC(C2=NC(c4ncccc4-c4ccccc4C)=CC=C=C2)=C3)C=N1.c1ccccc1.
What is the InChIKey of benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole?
The InChIKey is RFJHLEJYNRPVHQ-GLOFXQGCSA-N. The full InChI is InChI=1S/C73H50N10O2.C6H6/c1-44-14-5-6-19-56(44)57-20-13-33-75-71(57)64-22-8-7-21-61(79-64)50-17-10-25-65-59(39-50)60-41-77-46(3)26-30-67(60)83(65)69-43-85-72(81-69)52-18-9-16-48-35-53(28-27-49(48)36-52)73-80-68(42-84-73)82-55-34-47(4)76-40-54(37-55)58-38-51(29-31-66(58)82)62-23-11-24-63(78-62)70-45(2)15-12-32-74-70;1-2-4-6-5-3-1/h5-6,8,10-16,18-25,27-36,39-43,51H,17,38H2,1-4H3;1-6H/t51-;/m1./s1.
What are the key properties of benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole?
benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole has a molecular weight of 1177.38 g/mol, XLogP of 17.84, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[6-[4-[5-methyl-14-[7-[3-(2-methylphenyl)-2-pyridinyl]-1-azacyclohepta-1,3,4,6-tetraen-2-yl]-4,9-diazatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,5,6,11,14-heptaen-9-yl]-1,3-oxazol-2-yl]benzo[7]annulen-2-yl]-4-[(4S)-11-methyl-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-8,12-diazatricyclo[7.4.1.02,7]tetradeca-1(14),2(7),5,9(14),10,12-hexaen-8-yl]-1,3-oxazole is sourced from PubChem (CID 144783159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).