2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]

C36H26 — CID 156896762

IUPAC2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]
SMILESC=CC1=C(C=C)C2(c3ccc(-c4ccc(C)c5ccccc45)cc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C36H26/c1-4-25-31-22-24(27-20-18-23(3)26-12-6-7-13-28(26)27)19-21-35(31)36(32(25)5-2)33-16-10-8-14-29(33)30-15-9-11-17-34(30)36/h4-22H,1-2H2,3H3
InChIKeyIXKFIBNSQHUOJR-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.27
Rot. Bonds3

About 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]

2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene] (PubChem CID 156896762) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]
PubChem CID156896762
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]
SMILESC=CC1=C(C=C)C2(c3ccc(-c4ccc(C)c5ccccc45)cc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C36H26/c1-4-25-31-22-24(27-20-18-23(3)26-12-6-7-13-28(26)27)19-21-35(31)36(32(25)5-2)33-16-10-8-14-29(33)30-15-9-11-17-34(30)36/h4-22H,1-2H2,3H3
InChIKeyIXKFIBNSQHUOJR-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
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
1-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]dibenzofuran
CID 142417716
2-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]dibenzofuran
CID 142417659
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 144661901
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
CID 145092813
4-(9,9-diphenylfluoren-2-yl)-2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168777926
2-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-4-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazine
CID 144844648
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032

Frequently Asked Questions

What is the IUPAC name of 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]?
The IUPAC name of 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene] (CID 156896762) is 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene].
What is the SMILES notation for 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]?
The canonical SMILES for 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene] is C=CC1=C(C=C)C2(c3ccc(-c4ccc(C)c5ccccc45)cc31)c1ccccc1-c1ccccc12.
What is the InChIKey of 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]?
The InChIKey is IXKFIBNSQHUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-4-25-31-22-24(27-20-18-23(3)26-12-6-7-13-28(26)27)19-21-35(31)36(32(25)5-2)33-16-10-8-14-29(33)30-15-9-11-17-34(30)36/h4-22H,1-2H2,3H3.
What are the key properties of 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene]?
2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene] has a molecular weight of 458.60 g/mol, XLogP of 9.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-bis(ethenyl)-5'-(4-methylnaphthalen-1-yl)spiro[fluorene-9,1'-indene] is sourced from PubChem (CID 156896762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).