2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole

C73H47N9O2 — CID 90305843

IUPAC2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
SMILESCc1cc2c(cn1)c1cc(-c3cccc(-c4ccccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1
InChIInChI=1S/C73H47N9O2/c1-44-34-67-59(40-75-44)57-38-50(61-21-11-23-63(77-61)56-19-10-9-18-54(56)46-14-5-3-6-15-46)29-31-65(57)81(67)69-42-83-72(79-69)52-27-25-49-37-53(28-26-48(49)36-52)73-80-70(43-84-73)82-66-32-30-51(39-58(66)60-41-76-45(2)35-68(60)82)62-22-12-24-64(78-62)71-55(20-13-33-74-71)47-16-7-4-8-17-47/h3-43H,1-2H3
InChIKeyBEPLQYUFHDVMRJ-UHFFFAOYSA-N
MW1082.24 g/mol
LogP17.94
Rot. Bonds10

About 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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 90305843) has the molecular formula C73H47N9O2 and a molecular weight of 1082.24 g/mol. Its IUPAC name is 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
PubChem CID90305843
Molecular FormulaC73H47N9O2
Molecular Weight1082.24 g/mol
Exact Mass1081.39
IUPAC Name2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
SMILESCc1cc2c(cn1)c1cc(-c3cccc(-c4ccccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1
InChIInChI=1S/C73H47N9O2/c1-44-34-67-59(40-75-44)57-38-50(61-21-11-23-63(77-61)56-19-10-9-18-54(56)46-14-5-3-6-15-46)29-31-65(57)81(67)69-42-83-72(79-69)52-27-25-49-37-53(28-26-48(49)36-52)73-80-70(43-84-73)82-66-32-30-51(39-58(66)60-41-76-45(2)35-68(60)82)62-22-12-24-64(78-62)71-55(20-13-33-74-71)47-16-7-4-8-17-47/h3-43H,1-2H3
InChIKeyBEPLQYUFHDVMRJ-UHFFFAOYSA-N
XLogP17.94
TPSA126.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.24
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole (CID 90305843) is 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole is Cc1cc2c(cn1)c1cc(-c3cccc(-c4ccccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1.
What is the InChIKey of 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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 BEPLQYUFHDVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N9O2/c1-44-34-67-59(40-75-44)57-38-50(61-21-11-23-63(77-61)56-19-10-9-18-54(56)46-14-5-3-6-15-46)29-31-65(57)81(67)69-42-83-72(79-69)52-27-25-49-37-53(28-26-48(49)36-52)73-80-70(43-84-73)82-66-32-30-51(39-58(66)60-41-76-45(2)35-68(60)82)62-22-12-24-64(78-62)71-55(20-13-33-74-71)47-16-7-4-8-17-47/h3-43H,1-2H3.
What are the key properties of 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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 1082.24 g/mol, XLogP of 17.94, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[3-methyl-8-[6-(2-phenylphenyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-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 90305843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).