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

C28H30 — CID 58632233

IUPAC(4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC1=CC2C(CCC3C4C=CC=C[C@H]4C4C=CC=C[C@H]34)C3C=CC=C[C@H]3C2C=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/t19-,20?,21-,22?,23?,24-,25?,26?,27?,28?/m0/s1
InChIKeyDMENCZPZLSKLMQ-QKFSKGPZSA-N
MW366.55 g/mol
LogP6.46
Rot. Bonds3

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

(4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 58632233) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name(4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID58632233
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name(4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC1=CC2C(CCC3C4C=CC=C[C@H]4C4C=CC=C[C@H]34)C3C=CC=C[C@H]3C2C=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/t19-,20?,21-,22?,23?,24-,25?,26?,27?,28?/m0/s1
InChIKeyDMENCZPZLSKLMQ-QKFSKGPZSA-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

Analyze (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 58632233) is (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C1=CC2C(CCC3C4C=CC=C[C@H]4C4C=CC=C[C@H]34)C3C=CC=C[C@H]3C2C=C1.
What is the InChIKey of (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is DMENCZPZLSKLMQ-QKFSKGPZSA-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/t19-,20?,21-,22?,23?,24-,25?,26?,27?,28?/m0/s1.
What are the key properties of (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
(4bR,9aR)-9-[2-[(4aR)-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 (4bR,9aR)-9-[2-[(4aR)-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl]ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 58632233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).