10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine

C54H40N2O2 — CID 89070802

IUPAC10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
SMILESCc1c(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)ccc2c1C1(Cc3ccccc3C1)c1cc(N3C4=C(CCC=C4)Oc4ccccc43)ccc1-2
InChIInChI=1S/C54H40N2O2/c1-35-37(25-22-36-23-27-40(28-24-36)55-45-14-4-8-18-49(45)57-50-19-9-5-15-46(50)55)26-30-43-42-31-29-41(32-44(42)54(53(35)43)33-38-12-2-3-13-39(38)34-54)56-47-16-6-10-20-51(47)58-52-21-11-7-17-48(52)56/h2-10,12-20,22-32H,11,21,33-34H2,1H3/b25-22+
InChIKeyYQUHQLMVVIYNEB-YYDJUVGSSA-N
MW748.93 g/mol
LogP13.90
Rot. Bonds4

About 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine

10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine (PubChem CID 89070802) has the molecular formula C54H40N2O2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
PubChem CID89070802
Molecular FormulaC54H40N2O2
Molecular Weight748.93 g/mol
Exact Mass748.31
IUPAC Name10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
SMILESCc1c(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)ccc2c1C1(Cc3ccccc3C1)c1cc(N3C4=C(CCC=C4)Oc4ccccc43)ccc1-2
InChIInChI=1S/C54H40N2O2/c1-35-37(25-22-36-23-27-40(28-24-36)55-45-14-4-8-18-49(45)57-50-19-9-5-15-46(50)55)26-30-43-42-31-29-41(32-44(42)54(53(35)43)33-38-12-2-3-13-39(38)34-54)56-47-16-6-10-20-51(47)58-52-21-11-7-17-48(52)56/h2-10,12-20,22-32H,11,21,33-34H2,1H3/b25-22+
InChIKeyYQUHQLMVVIYNEB-YYDJUVGSSA-N
XLogP13.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
10-(3-methylphenyl)-3,4-dihydrophenoxazine
CID 145413862
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[6-(3,4-dihydrophenoxazin-10-yl)-9,10-di(perylen-3-yl)anthracen-2-yl]phenoxazine
CID 89110985
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine
CID 89071935
10-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]-3,4-dihydrophenoxazine
CID 170424854
10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 89070799
7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 89071983
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine (CID 89070802) is 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine is Cc1c(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)ccc2c1C1(Cc3ccccc3C1)c1cc(N3C4=C(CCC=C4)Oc4ccccc43)ccc1-2.
What is the InChIKey of 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine?
The InChIKey is YQUHQLMVVIYNEB-YYDJUVGSSA-N. The full InChI is InChI=1S/C54H40N2O2/c1-35-37(25-22-36-23-27-40(28-24-36)55-45-14-4-8-18-49(45)57-50-19-9-5-15-46(50)55)26-30-43-42-31-29-41(32-44(42)54(53(35)43)33-38-12-2-3-13-39(38)34-54)56-47-16-6-10-20-51(47)58-52-21-11-7-17-48(52)56/h2-10,12-20,22-32H,11,21,33-34H2,1H3/b25-22+.
What are the key properties of 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine?
10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine has a molecular weight of 748.93 g/mol, XLogP of 13.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine is sourced from PubChem (CID 89070802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).