3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]

C35H26 — CID 145291435

IUPAC3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]
SMILESCC1C=CC=C(c2ccc3c(c2)-c2ccccc2C32C3=C(Cc4ccccc43)c3ccccc32)C1
InChIInChI=1S/C35H26/c1-22-9-8-11-23(19-22)24-17-18-33-29(20-24)27-13-4-6-15-31(27)35(33)32-16-7-5-14-28(32)30-21-25-10-2-3-12-26(25)34(30)35/h2-18,20,22H,19,21H2,1H3
InChIKeyFNEMHOOOXHTEFY-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.46
Rot. Bonds1

About 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]

3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene] (PubChem CID 145291435) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene].

Molecular Properties

Compound Name3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]
PubChem CID145291435
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]
SMILESCC1C=CC=C(c2ccc3c(c2)-c2ccccc2C32C3=C(Cc4ccccc43)c3ccccc32)C1
InChIInChI=1S/C35H26/c1-22-9-8-11-23(19-22)24-17-18-33-29(20-24)27-13-4-6-15-31(27)35(33)32-16-7-5-14-28(32)30-21-25-10-2-3-12-26(25)34(30)35/h2-18,20,22H,19,21H2,1H3
InChIKeyFNEMHOOOXHTEFY-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]
CID 167529980
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
CID 146244829
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257
1-[2-hydroxy-5-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]ethanone
CID 163497893
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
5'-[6-(5-methylcyclohexa-1,3-dien-1-yl)-2-phenylpyrimidin-4-yl]-10-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]
CID 142481743
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938961

Frequently Asked Questions

What is the IUPAC name of 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]?
The IUPAC name of 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene] (CID 145291435) is 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene].
What is the SMILES notation for 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]?
The canonical SMILES for 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene] is CC1C=CC=C(c2ccc3c(c2)-c2ccccc2C32C3=C(Cc4ccccc43)c3ccccc32)C1.
What is the InChIKey of 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]?
The InChIKey is FNEMHOOOXHTEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26/c1-22-9-8-11-23(19-22)24-17-18-33-29(20-24)27-13-4-6-15-31(27)35(33)32-16-7-5-14-28(32)30-21-25-10-2-3-12-26(25)34(30)35/h2-18,20,22H,19,21H2,1H3.
What are the key properties of 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]?
3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene] has a molecular weight of 446.59 g/mol, XLogP of 8.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene] is sourced from PubChem (CID 145291435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).