6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene

C28H26 — CID 155763593

IUPAC6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
SMILESC=CCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(C)CC=C
InChIInChI=1S/C28H26/c1-5-15-27(3)23-13-9-7-11-19(23)21-18-26-22(17-25(21)27)20-12-8-10-14-24(20)28(26,4)16-6-2/h5-14,17-18H,1-2,15-16H2,3-4H3
InChIKeyDEHBONPZTCZFJA-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.41
Rot. Bonds4

About 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene

6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene (PubChem CID 155763593) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
PubChem CID155763593
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene
SMILESC=CCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(C)CC=C
InChIInChI=1S/C28H26/c1-5-15-27(3)23-13-9-7-11-19(23)21-18-26-22(17-25(21)27)20-12-8-10-14-24(20)28(26,4)16-6-2/h5-14,17-18H,1-2,15-16H2,3-4H3
InChIKeyDEHBONPZTCZFJA-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025
9-methyl-9-propylfluorene
CID 13283188
trimethyl-(9-prop-2-enylfluoren-9-yl)oxysilane
CID 71366117
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
3-methyl-2-pent-4-enyl-3-prop-2-enylisoindol-1-one
CID 100935741
2,9-dimethyl-9-propylfluorene
CID 58051803
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
9,9-difluoro-17-methyl-17-prop-2-enyl-8-oxa-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaene
CID 132540460
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
3-methylidene-1-prop-2-enyl-2H-inden-1-ol
CID 86041926

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene?
The IUPAC name of 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene (CID 155763593) is 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene is C=CCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(C)CC=C.
What is the InChIKey of 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene?
The InChIKey is DEHBONPZTCZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-5-15-27(3)23-13-9-7-11-19(23)21-18-26-22(17-25(21)27)20-12-8-10-14-24(20)28(26,4)16-6-2/h5-14,17-18H,1-2,15-16H2,3-4H3.
What are the key properties of 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene?
6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene has a molecular weight of 362.52 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-6,12-bis(prop-2-enyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 155763593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).