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

C45H30N4O — CID 118528381

IUPAC10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-4-14-31(15-5-1)35-28-36(32-16-6-2-7-17-32)30-37(29-35)45-47-43(33-18-8-3-9-19-33)46-44(48-45)34-24-26-38(27-25-34)49-39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)49/h1-30H
InChIKeyPFKFQYJWOGDDKC-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.78
Rot. Bonds6

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

10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 118528381) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID118528381
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)c2)cc1
InChIInChI=1S/C45H30N4O/c1-4-14-31(15-5-1)35-28-36(32-16-6-2-7-17-32)30-37(29-35)45-47-43(33-18-8-3-9-19-33)46-44(48-45)34-24-26-38(27-25-34)49-39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)49/h1-30H
InChIKeyPFKFQYJWOGDDKC-UHFFFAOYSA-N
XLogP11.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
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-[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)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
1,8-bis[3-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole;1,8-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole;10-[3-[9-methyl-8-(3-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine;10-[4-[9-methyl-8-(4-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine
CID 157430617
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-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 118528381) is 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)c2)cc1.
What is the InChIKey of 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is PFKFQYJWOGDDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-14-31(15-5-1)35-28-36(32-16-6-2-7-17-32)30-37(29-35)45-47-43(33-18-8-3-9-19-33)46-44(48-45)34-24-26-38(27-25-34)49-39-20-10-12-22-41(39)50-42-23-13-11-21-40(42)49/h1-30H.
What are the key properties of 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 642.76 g/mol, XLogP of 11.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 118528381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).