anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C96H82 — CID 159221292

IUPACanthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC1=Cc2cc3c(cc2C1)C=CC3.C1=Cc2ccccc2Cc2ccccc21.c1c2c(cc3c1CCC3)CCC2.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1C2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H14.C15H12.C14H12.2C14H10.C12H14.C12H10/c2*1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H,9-11H2;1-10H,11H2;1-8H,9-10H2;2*1-10H;7-8H,1-6H2;1-3,6-8H,4-5H2
InChIKeyKRSJORFSDFXDEP-UHFFFAOYSA-N
MW1235.71 g/mol
LogP24.06
Rot. Bonds

About anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 159221292) has the molecular formula C96H82 and a molecular weight of 1235.71 g/mol. Its IUPAC name is anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Nameanthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID159221292
Molecular FormulaC96H82
Molecular Weight1235.71 g/mol
Exact Mass1234.64
IUPAC Nameanthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC1=Cc2cc3c(cc2C1)C=CC3.C1=Cc2ccccc2Cc2ccccc21.c1c2c(cc3c1CCC3)CCC2.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1C2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H14.C15H12.C14H12.2C14H10.C12H14.C12H10/c2*1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H,9-11H2;1-10H,11H2;1-8H,9-10H2;2*1-10H;7-8H,1-6H2;1-3,6-8H,4-5H2
InChIKeyKRSJORFSDFXDEP-UHFFFAOYSA-N
XLogP24.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.71
LogP ≤ 524.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 159221292) is anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is C1=Cc2cc3c(cc2C1)C=CC3.C1=Cc2ccccc2Cc2ccccc21.c1c2c(cc3c1CCC3)CCC2.c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)CCc1ccccc1C2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is KRSJORFSDFXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C15H12.C14H12.2C14H10.C12H14.C12H10/c2*1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1/h1-8H,9-11H2;1-10H,11H2;1-8H,9-10H2;2*1-10H;7-8H,1-6H2;1-3,6-8H,4-5H2.
What are the key properties of anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 1235.71 g/mol, XLogP of 24.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 159221292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).