1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine

C33H26N2O2 — CID 170244430

IUPAC1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
SMILESCc1cccc2c1N(c1cccc(N3c4ccccc4Oc4cccc(C)c43)c1C)c1ccccc1O2
InChIInChI=1S/C33H26N2O2/c1-21-11-8-19-30-32(21)34(26-13-4-6-17-28(26)36-30)24-15-10-16-25(23(24)3)35-27-14-5-7-18-29(27)37-31-20-9-12-22(2)33(31)35/h4-20H,1-3H3
InChIKeyNFFFLWGLIUNEBR-UHFFFAOYSA-N
MW482.58 g/mol
LogP9.76
Rot. Bonds2

About 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine

1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine (PubChem CID 170244430) has the molecular formula C33H26N2O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
PubChem CID170244430
Molecular FormulaC33H26N2O2
Molecular Weight482.58 g/mol
Exact Mass482.20
IUPAC Name1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
SMILESCc1cccc2c1N(c1cccc(N3c4ccccc4Oc4cccc(C)c43)c1C)c1ccccc1O2
InChIInChI=1S/C33H26N2O2/c1-21-11-8-19-30-32(21)34(26-13-4-6-17-28(26)36-30)24-15-10-16-25(23(24)3)35-27-14-5-7-18-29(27)37-31-20-9-12-22(2)33(31)35/h4-20H,1-3H3
InChIKeyNFFFLWGLIUNEBR-UHFFFAOYSA-N
XLogP9.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
10-[3-[5-(2,6-dimethyl-3-phenoxazin-10-ylphenyl)benzo[b][1,4]benzazaborinin-10-yl]-2,4-dimethylphenyl]phenoxazine
CID 153468680
14,14-dimethyl-8-oxa-14λ4-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171732670
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
10-[4,6-bis(2-fluorophenyl)-2-methyl-3-phenoxazin-10-ylphenyl]phenoxazine
CID 139553095
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
ethane;10-phenylphenoxazine
CID 123756019
3,14,14-trimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-16-amine
CID 170656518
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
CID 154940540
3-[5-(3-cyanophenyl)-3-methyl-2,4-di(phenoxazin-10-yl)phenyl]benzonitrile
CID 139553033

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine?
The IUPAC name of 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine (CID 170244430) is 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine.
What is the SMILES notation for 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine?
The canonical SMILES for 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine is Cc1cccc2c1N(c1cccc(N3c4ccccc4Oc4cccc(C)c43)c1C)c1ccccc1O2.
What is the InChIKey of 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine?
The InChIKey is NFFFLWGLIUNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O2/c1-21-11-8-19-30-32(21)34(26-13-4-6-17-28(26)36-30)24-15-10-16-25(23(24)3)35-27-14-5-7-18-29(27)37-31-20-9-12-22(2)33(31)35/h4-20H,1-3H3.
What are the key properties of 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine?
1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine has a molecular weight of 482.58 g/mol, XLogP of 9.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine is sourced from PubChem (CID 170244430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).