9,10-dibenzhydrylanthracene

C40H30 — CID 123369567

IUPAC9,10-dibenzhydrylanthracene
SMILESc1ccc(C(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H30/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)39-33-25-13-15-27-35(33)40(36-28-16-14-26-34(36)39)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-38H
InChIKeyHQUMOMXCENDAKG-UHFFFAOYSA-N
MW510.68 g/mol
LogP10.35
Rot. Bonds6

About 9,10-dibenzhydrylanthracene

9,10-dibenzhydrylanthracene (PubChem CID 123369567) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 9,10-dibenzhydrylanthracene.

Molecular Properties

Compound Name9,10-dibenzhydrylanthracene
PubChem CID123369567
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name9,10-dibenzhydrylanthracene
SMILESc1ccc(C(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C40H30/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)39-33-25-13-15-27-35(33)40(36-28-16-14-26-34(36)39)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-38H
InChIKeyHQUMOMXCENDAKG-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dibenzhydrylanthracene?
The IUPAC name of 9,10-dibenzhydrylanthracene (CID 123369567) is 9,10-dibenzhydrylanthracene.
What is the SMILES notation for 9,10-dibenzhydrylanthracene?
The canonical SMILES for 9,10-dibenzhydrylanthracene is c1ccc(C(c2ccccc2)c2c3ccccc3c(C(c3ccccc3)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-dibenzhydrylanthracene?
The InChIKey is HQUMOMXCENDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)39-33-25-13-15-27-35(33)40(36-28-16-14-26-34(36)39)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-38H.
What are the key properties of 9,10-dibenzhydrylanthracene?
9,10-dibenzhydrylanthracene has a molecular weight of 510.68 g/mol, XLogP of 10.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibenzhydrylanthracene is sourced from PubChem (CID 123369567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).