8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one

C31H19NO3 — CID 121242285

IUPAC8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc12
InChIInChI=1S/C31H19NO3/c33-31-25-18-20(14-16-23(25)24-10-4-6-12-28(24)35-31)21-15-17-27-30(19-21)34-29-13-7-5-11-26(29)32(27)22-8-2-1-3-9-22/h1-19H
InChIKeyATFFQAOVIYYGOR-UHFFFAOYSA-N
MW453.50 g/mol
LogP8.19
Rot. Bonds2

About 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one

8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one (PubChem CID 121242285) has the molecular formula C31H19NO3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
PubChem CID121242285
Molecular FormulaC31H19NO3
Molecular Weight453.50 g/mol
Exact Mass453.14
IUPAC Name8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc12
InChIInChI=1S/C31H19NO3/c33-31-25-18-20(14-16-23(25)24-10-4-6-12-28(24)35-31)21-15-17-27-30(19-21)34-29-13-7-5-11-26(29)32(27)22-8-2-1-3-9-22/h1-19H
InChIKeyATFFQAOVIYYGOR-UHFFFAOYSA-N
XLogP8.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
CID 167665630
2,8-di(dibenzofuran-3-yl)-10-(4-phenylphenyl)phenoxazine
CID 126612202
1-[10-[3-[6-(4-dibenzofuran-4-yl-2,3-dioxoquinoxalin-1-yl)dibenzofuran-3-yl]phenyl]phenoxazin-3-yl]-4-phenylquinoxaline-2,3-dione
CID 156568765
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
14-[7-(10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21-phenyl-14-[6-(21-phenyl-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 161443856
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798

Frequently Asked Questions

What is the IUPAC name of 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one (CID 121242285) is 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one is O=c1oc2ccccc2c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc12.
What is the InChIKey of 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one?
The InChIKey is ATFFQAOVIYYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO3/c33-31-25-18-20(14-16-23(25)24-10-4-6-12-28(24)35-31)21-15-17-27-30(19-21)34-29-13-7-5-11-26(29)32(27)22-8-2-1-3-9-22/h1-19H.
What are the key properties of 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one?
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one has a molecular weight of 453.50 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).