10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

C42H27N7O — CID 118528356

IUPAC10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C42H27N7O/c1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49/h1-27H
InChIKeyDIZFAFNTGJWXBF-UHFFFAOYSA-N
MW645.73 g/mol
LogP9.97
Rot. Bonds6

About 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528356) has the molecular formula C42H27N7O and a molecular weight of 645.73 g/mol. Its IUPAC name is 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528356
Molecular FormulaC42H27N7O
Molecular Weight645.73 g/mol
Exact Mass645.23
IUPAC Name10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1
InChIInChI=1S/C42H27N7O/c1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49/h1-27H
InChIKeyDIZFAFNTGJWXBF-UHFFFAOYSA-N
XLogP9.97
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 168802896
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528356) is 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is DIZFAFNTGJWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7O/c1-4-14-28(15-5-1)37-43-38(29-16-6-2-7-17-29)46-41(45-37)42-47-39(30-18-8-3-9-19-30)44-40(48-42)31-24-26-32(27-25-31)49-33-20-10-12-22-35(33)50-36-23-13-11-21-34(36)49/h1-27H.
What are the key properties of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 645.73 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).