9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C28H30 — CID 20576731

IUPAC9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1
InChIInChI=1S/C28H30/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,19-28H,17-18H2
InChIKeyDMENCZPZLSKLMQ-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.46
Rot. Bonds3

About 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 20576731) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID20576731
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1
InChIInChI=1S/C28H30/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,19-28H,17-18H2
InChIKeyDMENCZPZLSKLMQ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 20576731) is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C1=CC2C3C=CC=CC3C(CCC3C4C=CC=CC4C4C=CC=CC43)C2C=C1.
What is the InChIKey of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is DMENCZPZLSKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,19-28H,17-18H2.
What are the key properties of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 366.55 g/mol, XLogP of 6.46, 3 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)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 20576731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).