9,10-dihydronaphtho[1,2-b]phenanthrene

C22H16 — CID 102065231

IUPAC9,10-dihydronaphtho[1,2-b]phenanthrene
SMILESC1=c2ccc3cc4c(ccc5ccccc54)cc3c2=CCC1
InChIInChI=1S/C22H16/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1,3,5-14H,2,4H2
InChIKeyVNWJSGLHOQJPBP-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.50
Rot. Bonds

About 9,10-dihydronaphtho[1,2-b]phenanthrene

9,10-dihydronaphtho[1,2-b]phenanthrene (PubChem CID 102065231) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9,10-dihydronaphtho[1,2-b]phenanthrene.

Molecular Properties

Compound Name9,10-dihydronaphtho[1,2-b]phenanthrene
PubChem CID102065231
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name9,10-dihydronaphtho[1,2-b]phenanthrene
SMILESC1=c2ccc3cc4c(ccc5ccccc54)cc3c2=CCC1
InChIInChI=1S/C22H16/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1,3,5-14H,2,4H2
InChIKeyVNWJSGLHOQJPBP-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.50
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'}

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Related Compounds

naphtho[1,2-b]phenanthrene
CID 5889
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
benzo[a]anthracene;hydrobromide
CID 159787028
2,3-dihydroanthracen-9-ylmethanethiol
CID 88940343
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
12-methyl-2,3-dihydrochrysene
CID 91327543
benzo[a]anthracene;formonitrile
CID 155409375
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydronaphtho[1,2-b]phenanthrene?
The IUPAC name of 9,10-dihydronaphtho[1,2-b]phenanthrene (CID 102065231) is 9,10-dihydronaphtho[1,2-b]phenanthrene.
What is the SMILES notation for 9,10-dihydronaphtho[1,2-b]phenanthrene?
The canonical SMILES for 9,10-dihydronaphtho[1,2-b]phenanthrene is C1=c2ccc3cc4c(ccc5ccccc54)cc3c2=CCC1.
What is the InChIKey of 9,10-dihydronaphtho[1,2-b]phenanthrene?
The InChIKey is VNWJSGLHOQJPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1,3,5-14H,2,4H2.
What are the key properties of 9,10-dihydronaphtho[1,2-b]phenanthrene?
9,10-dihydronaphtho[1,2-b]phenanthrene has a molecular weight of 280.37 g/mol, XLogP of 4.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydronaphtho[1,2-b]phenanthrene is sourced from PubChem (CID 102065231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).