9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene

C38H36 — CID 163394704

IUPAC9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene
SMILESCc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H36/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29/h5-22,35,38H,23-24H2,1-4H3
InChIKeyRIXSAEGEDJOKMW-UHFFFAOYSA-N
MW492.71 g/mol
LogP9.38
Rot. Bonds5

About 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene

9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene (PubChem CID 163394704) has the molecular formula C38H36 and a molecular weight of 492.71 g/mol. Its IUPAC name is 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene
PubChem CID163394704
Molecular FormulaC38H36
Molecular Weight492.71 g/mol
Exact Mass492.28
IUPAC Name9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene
SMILESCc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H36/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29/h5-22,35,38H,23-24H2,1-4H3
InChIKeyRIXSAEGEDJOKMW-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene?
The IUPAC name of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene (CID 163394704) is 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene.
What is the SMILES notation for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene?
The canonical SMILES for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene is Cc1cc(C)c2c(c1)Cc1cc(C)cc(C)c1C2c1ccc(C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene?
The InChIKey is RIXSAEGEDJOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36/c1-25-19-27(3)36-33(21-25)24-34-22-26(2)20-28(4)37(34)38(36)32-17-15-31(16-18-32)35(30-13-9-6-10-14-30)23-29-11-7-5-8-12-29/h5-22,35,38H,23-24H2,1-4H3.
What are the key properties of 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene?
9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene has a molecular weight of 492.71 g/mol, XLogP of 9.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene is sourced from PubChem (CID 163394704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).