anthracene;fluoranthene;9H-fluorene

C43H30 — CID 162240077

IUPACanthracene;fluoranthene;9H-fluorene
SMILESc1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H10.C14H10.C13H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10H;1-10H;1-8H,9H2
InChIKeyZWOUOAMFHVSBMN-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.74
Rot. Bonds

About anthracene;fluoranthene;9H-fluorene

anthracene;fluoranthene;9H-fluorene (PubChem CID 162240077) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is anthracene;fluoranthene;9H-fluorene.

Molecular Properties

Compound Nameanthracene;fluoranthene;9H-fluorene
PubChem CID162240077
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Nameanthracene;fluoranthene;9H-fluorene
SMILESc1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C16H10.C14H10.C13H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10H;1-10H;1-8H,9H2
InChIKeyZWOUOAMFHVSBMN-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 511.74
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 anthracene;fluoranthene;9H-fluorene?
The IUPAC name of anthracene;fluoranthene;9H-fluorene (CID 162240077) is anthracene;fluoranthene;9H-fluorene.
What is the SMILES notation for anthracene;fluoranthene;9H-fluorene?
The canonical SMILES for anthracene;fluoranthene;9H-fluorene is c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;fluoranthene;9H-fluorene?
The InChIKey is ZWOUOAMFHVSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C14H10.C13H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-10H;1-10H;1-8H,9H2.
What are the key properties of anthracene;fluoranthene;9H-fluorene?
anthracene;fluoranthene;9H-fluorene has a molecular weight of 546.71 g/mol, XLogP of 11.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;fluoranthene;9H-fluorene is sourced from PubChem (CID 162240077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).