10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine

C52H33N7O — CID 129290744

IUPAC10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1
InChIInChI=1S/C52H33N7O/c1-5-17-34(18-6-1)47-53-48(35-19-7-2-8-20-35)56-51(55-47)39-31-38-29-30-40(59-43-25-13-15-27-45(43)60-46-28-16-14-26-44(46)59)33-41(38)42(32-39)52-57-49(36-21-9-3-10-22-36)54-50(58-52)37-23-11-4-12-24-37/h1-33H
InChIKeyUIKYTMUGFXGOFV-UHFFFAOYSA-N
MW771.88 g/mol
LogP12.79
Rot. Bonds7

About 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine

10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine (PubChem CID 129290744) has the molecular formula C52H33N7O and a molecular weight of 771.88 g/mol. Its IUPAC name is 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
PubChem CID129290744
Molecular FormulaC52H33N7O
Molecular Weight771.88 g/mol
Exact Mass771.27
IUPAC Name10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1
InChIInChI=1S/C52H33N7O/c1-5-17-34(18-6-1)47-53-48(35-19-7-2-8-20-35)56-51(55-47)39-31-38-29-30-40(59-43-25-13-15-27-45(43)60-46-28-16-14-26-44(46)59)33-41(38)42(32-39)52-57-49(36-21-9-3-10-22-36)54-50(58-52)37-23-11-4-12-24-37/h1-33H
InChIKeyUIKYTMUGFXGOFV-UHFFFAOYSA-N
XLogP12.79
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.88
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenoxazine-2,4,6-triphenyl-1,3,5-triazine
CID 102311758
2-(10H-Phenoxazine-10-yl)-4,6-diphenyl-1,3,5-triazine
CID 59194549
10-[6,8-Bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine
CID 129290751
10-[3-(2,6-Diphenylpyrimidin-4-yl)-4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291584
10-[4-[4,6-Bis(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 160657212
3-[4-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-oxa-25-thia-3-azahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-1(18),2(11),4,6,8,12,14,16,19,21,23-undecaene
CID 163671691
10-[4-[4-(9,9-Dinaphthalen-2-ylxanthen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 163674287
5-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2-phenoxazin-10-yl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 135131132
Hexane;10-(15-phenoxazin-10-yl-9,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-yl)phenoxazine
CID 168340030
10-(15-Phenoxazin-10-yl-9,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-yl)phenoxazine
CID 168340031
10-(9-Azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-yl)phenoxazine
CID 168340032
10-(7-Phenoxazin-10-yl-1,8-naphthyridin-2-yl)phenoxazine
CID 168340152

Frequently Asked Questions

What is the IUPAC name of 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine (CID 129290744) is 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1.
What is the InChIKey of 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
The InChIKey is UIKYTMUGFXGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7O/c1-5-17-34(18-6-1)47-53-48(35-19-7-2-8-20-35)56-51(55-47)39-31-38-29-30-40(59-43-25-13-15-27-45(43)60-46-28-16-14-26-44(46)59)33-41(38)42(32-39)52-57-49(36-21-9-3-10-22-36)54-50(58-52)37-23-11-4-12-24-37/h1-33H.
What are the key properties of 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine?
10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine has a molecular weight of 771.88 g/mol, XLogP of 12.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).