10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

C37H24N4O — CID 129290682

IUPAC10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(N5c6ccccc6Oc6ccccc65)c4c3)n2)cc1
InChIInChI=1S/C37H24N4O/c1-3-12-26(13-4-1)35-38-36(27-14-5-2-6-15-27)40-37(39-35)28-23-22-25-16-11-19-30(29(25)24-28)41-31-17-7-9-20-33(31)42-34-21-10-8-18-32(34)41/h1-24H
InChIKeyCUFNGQWJRQMIGU-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.60
Rot. Bonds4

About 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (PubChem CID 129290682) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
PubChem CID129290682
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(N5c6ccccc6Oc6ccccc65)c4c3)n2)cc1
InChIInChI=1S/C37H24N4O/c1-3-12-26(13-4-1)35-38-36(27-14-5-2-6-15-27)40-37(39-35)28-23-22-25-16-11-19-30(29(25)24-28)41-31-17-7-9-20-33(31)42-34-21-10-8-18-32(34)41/h1-24H
InChIKeyCUFNGQWJRQMIGU-UHFFFAOYSA-N
XLogP9.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
CID 145345234
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-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290690
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 166913227
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
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
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 142427413
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine (CID 129290682) is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine.
What is the SMILES notation for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The canonical SMILES for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(N5c6ccccc6Oc6ccccc65)c4c3)n2)cc1.
What is the InChIKey of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
The InChIKey is CUFNGQWJRQMIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-3-12-26(13-4-1)35-38-36(27-14-5-2-6-15-27)40-37(39-35)28-23-22-25-16-11-19-30(29(25)24-28)41-31-17-7-9-20-33(31)42-34-21-10-8-18-32(34)41/h1-24H.
What are the key properties of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine?
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine has a molecular weight of 540.63 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine is sourced from PubChem (CID 129290682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).