cinnoline;1,2,11,12-tetrahydrochrysene

C26H22N2 — CID 174316438

IUPACcinnoline;1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.c1ccc2nnccc2c1
InChIInChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-8-7(3-1)5-6-9-10-8/h1,3-5,7-9,11H,2,6,10,12H2;1-6H
InChIKeyDLSGCLQBIUKXNI-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.52
Rot. Bonds

About cinnoline;1,2,11,12-tetrahydrochrysene

cinnoline;1,2,11,12-tetrahydrochrysene (PubChem CID 174316438) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is cinnoline;1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Namecinnoline;1,2,11,12-tetrahydrochrysene
PubChem CID174316438
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Namecinnoline;1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.c1ccc2nnccc2c1
InChIInChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-8-7(3-1)5-6-9-10-8/h1,3-5,7-9,11H,2,6,10,12H2;1-6H
InChIKeyDLSGCLQBIUKXNI-UHFFFAOYSA-N
XLogP6.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
CID 174697585
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
CID 174408261
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
benzo[e]benzimidazol-2-one;7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435741
naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol
CID 174707702
cinnoline;methane;4-phenyl-7,8-dihydro-6H-chrysen-5-imine
CID 175237081
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carbaldehyde
CID 174339249

Frequently Asked Questions

What is the IUPAC name of cinnoline;1,2,11,12-tetrahydrochrysene?
The IUPAC name of cinnoline;1,2,11,12-tetrahydrochrysene (CID 174316438) is cinnoline;1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for cinnoline;1,2,11,12-tetrahydrochrysene?
The canonical SMILES for cinnoline;1,2,11,12-tetrahydrochrysene is C1=CC2=C(CC1)CCc1c2ccc2ccccc12.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;1,2,11,12-tetrahydrochrysene?
The InChIKey is DLSGCLQBIUKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-4-8-7(3-1)5-6-9-10-8/h1,3-5,7-9,11H,2,6,10,12H2;1-6H.
What are the key properties of cinnoline;1,2,11,12-tetrahydrochrysene?
cinnoline;1,2,11,12-tetrahydrochrysene has a molecular weight of 362.48 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174316438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).