9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C40H52 — CID 58177742

IUPAC9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C40H52/c1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7/h8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3
InChIKeyDHUIZRXTBYDTGB-UHFFFAOYSA-N
MW532.86 g/mol
LogP10.48
Rot. Bonds6

About 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 58177742) has the molecular formula C40H52 and a molecular weight of 532.86 g/mol. Its IUPAC name is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID58177742
Molecular FormulaC40H52
Molecular Weight532.86 g/mol
Exact Mass532.41
IUPAC Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C40H52/c1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7/h8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3
InChIKeyDHUIZRXTBYDTGB-UHFFFAOYSA-N
XLogP10.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 58177742) is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is C=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is DHUIZRXTBYDTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52/c1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7/h8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3.
What are the key properties of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 532.86 g/mol, XLogP of 10.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 58177742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).