9,10-dihydrophenanthrene;phenanthrene

C28H22 — CID 159340402

IUPAC9,10-dihydrophenanthrene;phenanthrene
SMILESc1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H12.C14H10/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2;1-10H
InChIKeyLGBKUBPAZQQCKZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.45
Rot. Bonds

About 9,10-dihydrophenanthrene;phenanthrene

9,10-dihydrophenanthrene;phenanthrene (PubChem CID 159340402) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 9,10-dihydrophenanthrene;phenanthrene.

Molecular Properties

Compound Name9,10-dihydrophenanthrene;phenanthrene
PubChem CID159340402
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name9,10-dihydrophenanthrene;phenanthrene
SMILESc1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H12.C14H10/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2;1-10H
InChIKeyLGBKUBPAZQQCKZ-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;ethane
CID 143759681
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18-nonaene
CID 129156170
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydrophenanthrene;phenanthrene?
The IUPAC name of 9,10-dihydrophenanthrene;phenanthrene (CID 159340402) is 9,10-dihydrophenanthrene;phenanthrene.
What is the SMILES notation for 9,10-dihydrophenanthrene;phenanthrene?
The canonical SMILES for 9,10-dihydrophenanthrene;phenanthrene is c1ccc2c(c1)CCc1ccccc1-2.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of 9,10-dihydrophenanthrene;phenanthrene?
The InChIKey is LGBKUBPAZQQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C14H10/c2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2;1-10H.
What are the key properties of 9,10-dihydrophenanthrene;phenanthrene?
9,10-dihydrophenanthrene;phenanthrene has a molecular weight of 358.48 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydrophenanthrene;phenanthrene is sourced from PubChem (CID 159340402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).