2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole

C62H36N10O — CID 151970727

IUPAC2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ncccc43)c(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2-n2c3ccccc3c3ncccc32)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C62H36N10O/c1-2-18-38(62-67-43-23-7-12-32-52(43)73-62)37(17-1)53-58(69-44-24-8-3-19-39(44)54-48(69)28-13-33-63-54)60(71-46-26-10-5-21-41(46)56-50(71)30-15-35-65-56)68-61(72-47-27-11-6-22-42(47)57-51(72)31-16-36-66-57)59(53)70-45-25-9-4-20-40(45)55-49(70)29-14-34-64-55/h1-36H
InChIKeyUAPRCOAURPTIRB-UHFFFAOYSA-N
MW937.04 g/mol
LogP14.53
Rot. Bonds6

About 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole

2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole (PubChem CID 151970727) has the molecular formula C62H36N10O and a molecular weight of 937.04 g/mol. Its IUPAC name is 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
PubChem CID151970727
Molecular FormulaC62H36N10O
Molecular Weight937.04 g/mol
Exact Mass936.31
IUPAC Name2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ncccc43)c(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2-n2c3ccccc3c3ncccc32)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C62H36N10O/c1-2-18-38(62-67-43-23-7-12-32-52(43)73-62)37(17-1)53-58(69-44-24-8-3-19-39(44)54-48(69)28-13-33-63-54)60(71-46-26-10-5-21-41(46)56-50(71)30-15-35-65-56)68-61(72-47-27-11-6-22-42(47)57-51(72)31-16-36-66-57)59(53)70-45-25-9-4-20-40(45)55-49(70)29-14-34-64-55/h1-36H
InChIKeyUAPRCOAURPTIRB-UHFFFAOYSA-N
XLogP14.53
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.04
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole (CID 151970727) is 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole is c1ccc(-c2c(-n3c4ccccc4c4ncccc43)c(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2-n2c3ccccc3c3ncccc32)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole?
The InChIKey is UAPRCOAURPTIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N10O/c1-2-18-38(62-67-43-23-7-12-32-52(43)73-62)37(17-1)53-58(69-44-24-8-3-19-39(44)54-48(69)28-13-33-63-54)60(71-46-26-10-5-21-41(46)56-50(71)30-15-35-65-56)68-61(72-47-27-11-6-22-42(47)57-51(72)31-16-36-66-57)59(53)70-45-25-9-4-20-40(45)55-49(70)29-14-34-64-55/h1-36H.
What are the key properties of 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole?
2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole has a molecular weight of 937.04 g/mol, XLogP of 14.53, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 151970727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).