2-(9-anthracen-2-ylfluoren-9-yl)anthracene

C41H26 — CID 162705610

IUPAC2-(9-anthracen-2-ylfluoren-9-yl)anthracene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C41H26/c1-3-11-29-23-33-25-35(19-17-31(33)21-27(29)9-1)41(39-15-7-5-13-37(39)38-14-6-8-16-40(38)41)36-20-18-32-22-28-10-2-4-12-30(28)24-34(32)26-36/h1-26H
InChIKeyRAZRTSOUJZKRMR-UHFFFAOYSA-N
MW518.66 g/mol
LogP10.66
Rot. Bonds2

About 2-(9-anthracen-2-ylfluoren-9-yl)anthracene

2-(9-anthracen-2-ylfluoren-9-yl)anthracene (PubChem CID 162705610) has the molecular formula C41H26 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-(9-anthracen-2-ylfluoren-9-yl)anthracene.

Molecular Properties

Compound Name2-(9-anthracen-2-ylfluoren-9-yl)anthracene
PubChem CID162705610
Molecular FormulaC41H26
Molecular Weight518.66 g/mol
Exact Mass518.20
IUPAC Name2-(9-anthracen-2-ylfluoren-9-yl)anthracene
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C41H26/c1-3-11-29-23-33-25-35(19-17-31(33)21-27(29)9-1)41(39-15-7-5-13-37(39)38-14-6-8-16-40(38)41)36-20-18-32-22-28-10-2-4-12-30(28)24-34(32)26-36/h1-26H
InChIKeyRAZRTSOUJZKRMR-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-anthracen-2-ylfluoren-9-yl)anthracene?
The IUPAC name of 2-(9-anthracen-2-ylfluoren-9-yl)anthracene (CID 162705610) is 2-(9-anthracen-2-ylfluoren-9-yl)anthracene.
What is the SMILES notation for 2-(9-anthracen-2-ylfluoren-9-yl)anthracene?
The canonical SMILES for 2-(9-anthracen-2-ylfluoren-9-yl)anthracene is c1ccc2c(c1)-c1ccccc1C2(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-(9-anthracen-2-ylfluoren-9-yl)anthracene?
The InChIKey is RAZRTSOUJZKRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26/c1-3-11-29-23-33-25-35(19-17-31(33)21-27(29)9-1)41(39-15-7-5-13-37(39)38-14-6-8-16-40(38)41)36-20-18-32-22-28-10-2-4-12-30(28)24-34(32)26-36/h1-26H.
What are the key properties of 2-(9-anthracen-2-ylfluoren-9-yl)anthracene?
2-(9-anthracen-2-ylfluoren-9-yl)anthracene has a molecular weight of 518.66 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-anthracen-2-ylfluoren-9-yl)anthracene is sourced from PubChem (CID 162705610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).