1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone

C28H20N2O2 — CID 19024790

IUPAC1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2c3ccccc3Oc3ccccc32)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H20N2O2/c31-28(22-17-29-23-11-2-1-10-21(22)23)20-9-7-8-19(16-20)18-30-24-12-3-5-14-26(24)32-27-15-6-4-13-25(27)30/h1-17,29H,18H2
InChIKeyZRYJCIQKQYCFRQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP6.84
Rot. Bonds4

About 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone

1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone (PubChem CID 19024790) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
PubChem CID19024790
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2c3ccccc3Oc3ccccc32)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C28H20N2O2/c31-28(22-17-29-23-11-2-1-10-21(22)23)20-9-7-8-19(16-20)18-30-24-12-3-5-14-26(24)32-27-15-6-4-13-25(27)30/h1-17,29H,18H2
InChIKeyZRYJCIQKQYCFRQ-UHFFFAOYSA-N
XLogP6.84
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
CID 139497293
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
CID 2606708
(2-phenoxazin-10-ylphenyl)-phenylmethanone
CID 121420431
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone?
The IUPAC name of 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone (CID 19024790) is 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone?
The canonical SMILES for 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2c3ccccc3Oc3ccccc32)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone?
The InChIKey is ZRYJCIQKQYCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c31-28(22-17-29-23-11-2-1-10-21(22)23)20-9-7-8-19(16-20)18-30-24-12-3-5-14-26(24)32-27-15-6-4-13-25(27)30/h1-17,29H,18H2.
What are the key properties of 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone?
1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone has a molecular weight of 416.48 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone is sourced from PubChem (CID 19024790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).