9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene

C43H36 — CID 123223913

IUPAC9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene
SMILESCC(c1ccc(-c2ccc(CCC3c4ccccc4-c4ccccc43)cc2)cc1)C1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C43H36/c1-29(43-28-34-10-2-3-11-35(34)36-12-4-9-17-41(36)43)31-23-25-33(26-24-31)32-21-18-30(19-22-32)20-27-42-39-15-7-5-13-37(39)38-14-6-8-16-40(38)42/h2-19,21-26,29,42-43H,20,27-28H2,1H3
InChIKeyRJUOOEXVWFHYBK-UHFFFAOYSA-N
MW552.76 g/mol
LogP11.21
Rot. Bonds6

About 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene

9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene (PubChem CID 123223913) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene
PubChem CID123223913
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene
SMILESCC(c1ccc(-c2ccc(CCC3c4ccccc4-c4ccccc43)cc2)cc1)C1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C43H36/c1-29(43-28-34-10-2-3-11-35(34)36-12-4-9-17-41(36)43)31-23-25-33(26-24-31)32-21-18-30(19-22-32)20-27-42-39-15-7-5-13-37(39)38-14-6-8-16-40(38)42/h2-19,21-26,29,42-43H,20,27-28H2,1H3
InChIKeyRJUOOEXVWFHYBK-UHFFFAOYSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene?
The IUPAC name of 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene (CID 123223913) is 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene.
What is the SMILES notation for 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene?
The canonical SMILES for 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene is CC(c1ccc(-c2ccc(CCC3c4ccccc4-c4ccccc43)cc2)cc1)C1Cc2ccccc2-c2ccccc21.
What is the InChIKey of 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene?
The InChIKey is RJUOOEXVWFHYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36/c1-29(43-28-34-10-2-3-11-35(34)36-12-4-9-17-41(36)43)31-23-25-33(26-24-31)32-21-18-30(19-22-32)20-27-42-39-15-7-5-13-37(39)38-14-6-8-16-40(38)42/h2-19,21-26,29,42-43H,20,27-28H2,1H3.
What are the key properties of 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene?
9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene has a molecular weight of 552.76 g/mol, XLogP of 11.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]ethyl]-9,10-dihydrophenanthrene is sourced from PubChem (CID 123223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).