10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine

C42H35NO — CID 138493657

IUPAC10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine
SMILESC=CC1=C(/C=C\CC(C)(C)C)c2ccc(N3c4ccccc4Oc4ccccc43)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C42H35NO/c1-5-33-29(17-14-26-41(2,3)4)32-25-24-28(43-37-20-10-12-22-39(37)44-40-23-13-11-21-38(40)43)27-36(32)42(33)34-18-8-6-15-30(34)31-16-7-9-19-35(31)42/h5-25,27H,1,26H2,2-4H3/b17-14-
InChIKeyYHLKPBRHLMYFDO-VKAVYKQESA-N
MW569.75 g/mol
LogP11.52
Rot. Bonds4

About 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine

10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine (PubChem CID 138493657) has the molecular formula C42H35NO and a molecular weight of 569.75 g/mol. Its IUPAC name is 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine.

Molecular Properties

Compound Name10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine
PubChem CID138493657
Molecular FormulaC42H35NO
Molecular Weight569.75 g/mol
Exact Mass569.27
IUPAC Name10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine
SMILESC=CC1=C(/C=C\CC(C)(C)C)c2ccc(N3c4ccccc4Oc4ccccc43)cc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C42H35NO/c1-5-33-29(17-14-26-41(2,3)4)32-25-24-28(43-37-20-10-12-22-39(37)44-40-23-13-11-21-38(40)43)27-36(32)42(33)34-18-8-6-15-30(34)31-16-7-9-19-35(31)42/h5-25,27H,1,26H2,2-4H3/b17-14-
InChIKeyYHLKPBRHLMYFDO-VKAVYKQESA-N
XLogP11.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine with MolForge

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Related Compounds

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
CID 146495452
CID 146495452
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
CID 142340746
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213167
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
[2'-ethenyl-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-1-yl]boronic acid
CID 142314021
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502

Frequently Asked Questions

What is the IUPAC name of 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine?
The IUPAC name of 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine (CID 138493657) is 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine.
What is the SMILES notation for 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine?
The canonical SMILES for 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine is C=CC1=C(/C=C\CC(C)(C)C)c2ccc(N3c4ccccc4Oc4ccccc43)cc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine?
The InChIKey is YHLKPBRHLMYFDO-VKAVYKQESA-N. The full InChI is InChI=1S/C42H35NO/c1-5-33-29(17-14-26-41(2,3)4)32-25-24-28(43-37-20-10-12-22-39(37)44-40-23-13-11-21-38(40)43)27-36(32)42(33)34-18-8-6-15-30(34)31-16-7-9-19-35(31)42/h5-25,27H,1,26H2,2-4H3/b17-14-.
What are the key properties of 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine?
10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine has a molecular weight of 569.75 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1'-[(Z)-4,4-dimethylpent-1-enyl]-2'-ethenylspiro[fluorene-9,3'-indene]-5'-yl]phenoxazine is sourced from PubChem (CID 138493657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).