10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

C63H43N11O2 — CID 164705861

IUPAC10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESCn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21
InChIInChI=1S/C63H43N11O2/c1-70-58(67-44-15-12-34-64-60(44)70)42-37-43(59-68-45-16-13-35-65-61(45)71(59)2)57(63-69-46-17-14-36-66-62(46)72(63)3)56(39-28-32-41(33-29-39)74-49-20-6-10-24-53(49)76-54-25-11-7-21-50(54)74)55(42)38-26-30-40(31-27-38)73-47-18-4-8-22-51(47)75-52-23-9-5-19-48(52)73/h4-37H,1-3H3
InChIKeyAOFCYUNRAZCUOW-UHFFFAOYSA-N
MW986.11 g/mol
LogP15.02
Rot. Bonds7

About 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (PubChem CID 164705861) has the molecular formula C63H43N11O2 and a molecular weight of 986.11 g/mol. Its IUPAC name is 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
PubChem CID164705861
Molecular FormulaC63H43N11O2
Molecular Weight986.11 g/mol
Exact Mass985.36
IUPAC Name10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESCn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21
InChIInChI=1S/C63H43N11O2/c1-70-58(67-44-15-12-34-64-60(44)70)42-37-43(59-68-45-16-13-35-65-61(45)71(59)2)57(63-69-46-17-14-36-66-62(46)72(63)3)56(39-28-32-41(33-29-39)74-49-20-6-10-24-53(49)76-54-25-11-7-21-50(54)74)55(42)38-26-30-40(31-27-38)73-47-18-4-8-22-51(47)75-52-23-9-5-19-48(52)73/h4-37H,1-3H3
InChIKeyAOFCYUNRAZCUOW-UHFFFAOYSA-N
XLogP15.02
TPSA117.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.11
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (CID 164705861) is 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is Cn1c(-c2cc(-c3nc4cccnc4n3C)c(-c3nc4cccnc4n3C)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc2cccnc21.
What is the InChIKey of 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The InChIKey is AOFCYUNRAZCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N11O2/c1-70-58(67-44-15-12-34-64-60(44)70)42-37-43(59-68-45-16-13-35-65-61(45)71(59)2)57(63-69-46-17-14-36-66-62(46)72(63)3)56(39-28-32-41(33-29-39)74-49-20-6-10-24-53(49)76-54-25-11-7-21-50(54)74)55(42)38-26-30-40(31-27-38)73-47-18-4-8-22-51(47)75-52-23-9-5-19-48(52)73/h4-37H,1-3H3.
What are the key properties of 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine has a molecular weight of 986.11 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2,3,5-tris(3-methylimidazo[4,5-b]pyridin-2-yl)-6-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 164705861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).