10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine

C38H27NO — CID 123828238

IUPAC10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C38H27NO/c1-24-11-10-16-32-37(24)27-13-3-5-15-30(27)38(32)29-14-4-2-12-26(29)28-23-25(21-22-31(28)38)39-33-17-6-8-19-35(33)40-36-20-9-7-18-34(36)39/h2-10,12-24H,11H2,1H3
InChIKeyLDRSLWYDLBEGCH-UHFFFAOYSA-N
MW513.64 g/mol
LogP9.94
Rot. Bonds1

About 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine

10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine (PubChem CID 123828238) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
PubChem CID123828238
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine
SMILESCC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C38H27NO/c1-24-11-10-16-32-37(24)27-13-3-5-15-30(27)38(32)29-14-4-2-12-26(29)28-23-25(21-22-31(28)38)39-33-17-6-8-19-35(33)40-36-20-9-7-18-34(36)39/h2-10,12-24H,11H2,1H3
InChIKeyLDRSLWYDLBEGCH-UHFFFAOYSA-N
XLogP9.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 146495452
CID 146495452
4,9'-dimethylspiro[3,4-dihydrofluorene-9,10'-9H-anthracene]
CID 91333541
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
4-methyl-5'-phenyl-2'-(9-phenylcarbazol-2-yl)spiro[3,4-dihydrofluorene-9,7'-indeno[2,1-b]carbazole]
CID 144556721
9-[2,3-dimethyl-4-(2-methylphenyl)phenyl]-4-methyl-9-(2-methylphenyl)-3,4-dihydrofluorene
CID 145007140
8-(3,5-dichlorophenyl)-4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 156896781
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
11-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-yl-10H-cyclohepta[b][1,4]benzoxazine
CID 145292093
N-methyl-N-[2-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenyl]-9-phenylcarbazol-2-amine
CID 131969708
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine?
The IUPAC name of 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine (CID 123828238) is 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine.
What is the SMILES notation for 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine?
The canonical SMILES for 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine is CC1CC=CC2=C1c1ccccc1C21c2ccccc2-c2cc(N3c4ccccc4Oc4ccccc43)ccc21.
What is the InChIKey of 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine?
The InChIKey is LDRSLWYDLBEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-24-11-10-16-32-37(24)27-13-3-5-15-30(27)38(32)29-14-4-2-12-26(29)28-23-25(21-22-31(28)38)39-33-17-6-8-19-35(33)40-36-20-9-7-18-34(36)39/h2-10,12-24H,11H2,1H3.
What are the key properties of 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine?
10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine has a molecular weight of 513.64 g/mol, XLogP of 9.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3'-yl)phenoxazine is sourced from PubChem (CID 123828238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).