9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene

C35H34 — CID 90779061

IUPAC9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene
SMILESCC=C(C)CCCc1ccc2c(c1)-c1cc(-c3ccc4c(c3)-c3ccccc3C4C)ccc1C2C
InChIInChI=1S/C35H34/c1-5-22(2)9-8-10-25-13-16-29-24(4)31-18-15-27(21-35(31)33(29)19-25)26-14-17-30-23(3)28-11-6-7-12-32(28)34(30)20-26/h5-7,11-21,23-24H,8-10H2,1-4H3
InChIKeyALMHQPBMTCHPKD-UHFFFAOYSA-N
MW454.66 g/mol
LogP9.91
Rot. Bonds5

About 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene

9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene (PubChem CID 90779061) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene.

Molecular Properties

Compound Name9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene
PubChem CID90779061
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene
SMILESCC=C(C)CCCc1ccc2c(c1)-c1cc(-c3ccc4c(c3)-c3ccccc3C4C)ccc1C2C
InChIInChI=1S/C35H34/c1-5-22(2)9-8-10-25-13-16-29-24(4)31-18-15-27(21-35(31)33(29)19-25)26-14-17-30-23(3)28-11-6-7-12-32(28)34(30)20-26/h5-7,11-21,23-24H,8-10H2,1-4H3
InChIKeyALMHQPBMTCHPKD-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene?
The IUPAC name of 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene (CID 90779061) is 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene.
What is the SMILES notation for 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene?
The canonical SMILES for 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene is CC=C(C)CCCc1ccc2c(c1)-c1cc(-c3ccc4c(c3)-c3ccccc3C4C)ccc1C2C.
What is the InChIKey of 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene?
The InChIKey is ALMHQPBMTCHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34/c1-5-22(2)9-8-10-25-13-16-29-24(4)31-18-15-27(21-35(31)33(29)19-25)26-14-17-30-23(3)28-11-6-7-12-32(28)34(30)20-26/h5-7,11-21,23-24H,8-10H2,1-4H3.
What are the key properties of 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene?
9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene has a molecular weight of 454.66 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(9-methyl-9H-fluoren-3-yl)-6-(4-methylhex-4-enyl)-9H-fluorene is sourced from PubChem (CID 90779061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).