10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine

C44H29N5O — CID 118532507

IUPAC10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C44H29N5O/c1-4-14-30(15-5-1)43-45-35-28-40-36(29-39(35)48(43)32-16-6-2-7-17-32)46-44(49(40)33-18-8-3-9-19-33)31-24-26-34(27-25-31)47-37-20-10-12-22-41(37)50-42-23-13-11-21-38(42)47/h1-29H
InChIKeyXWJCMVXIFYNLOT-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.27
Rot. Bonds5

About 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine

10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 118532507) has the molecular formula C44H29N5O and a molecular weight of 643.75 g/mol. Its IUPAC name is 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine
PubChem CID118532507
Molecular FormulaC44H29N5O
Molecular Weight643.75 g/mol
Exact Mass643.24
IUPAC Name10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C44H29N5O/c1-4-14-30(15-5-1)43-45-35-28-40-36(29-39(35)48(43)32-16-6-2-7-17-32)46-44(49(40)33-18-8-3-9-19-33)31-24-26-34(27-25-31)47-37-20-10-12-22-41(37)50-42-23-13-11-21-38(42)47/h1-29H
InChIKeyXWJCMVXIFYNLOT-UHFFFAOYSA-N
XLogP11.27
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine (CID 118532507) is 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-c2nc3cc4c(cc3n2-c2ccccc2)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1.
What is the InChIKey of 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is XWJCMVXIFYNLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5O/c1-4-14-30(15-5-1)43-45-35-28-40-36(29-39(35)48(43)32-16-6-2-7-17-32)46-44(49(40)33-18-8-3-9-19-33)31-24-26-34(27-25-31)47-37-20-10-12-22-41(37)50-42-23-13-11-21-38(42)47/h1-29H.
What are the key properties of 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine?
10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 643.75 g/mol, XLogP of 11.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,6,7-triphenylimidazo[4,5-f]benzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118532507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).