10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline

C32H25ClN2 — CID 174326633

IUPAC10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline
SMILESClc1cccc2ccc3c(c12)CCC1=C3C=CCC1.c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H15Cl.C14H10N2/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17;1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h2-3,5-7,9-10H,1,4,8,11H2;1-10H
InChIKeyMGEXAZZAFNNNPD-UHFFFAOYSA-N
MW473.02 g/mol
LogP8.84
Rot. Bonds1

About 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline

10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline (PubChem CID 174326633) has the molecular formula C32H25ClN2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline.

Molecular Properties

Compound Name10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline
PubChem CID174326633
Molecular FormulaC32H25ClN2
Molecular Weight473.02 g/mol
Exact Mass472.17
IUPAC Name10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline
SMILESClc1cccc2ccc3c(c12)CCC1=C3C=CCC1.c1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/C18H15Cl.C14H10N2/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17;1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h2-3,5-7,9-10H,1,4,8,11H2;1-10H
InChIKeyMGEXAZZAFNNNPD-UHFFFAOYSA-N
XLogP8.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
CID 174694275
2-phenylquinazoline
CID 158733567
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydrochrysen-4-yl]quinazoline
CID 174341690
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
CID 174697585
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
10-[(3-bromophenyl)methyl]-1,2,11,12-tetrahydrochrysene;phthalazine
CID 174587965
N-methyl-1-[4-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methanamine;phthalazine
CID 174587960
(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone
CID 174388301
2-[4-(2-phenyl-6-pyren-1-ylpyrimidin-4-yl)phenyl]quinazoline
CID 130263647
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285

Frequently Asked Questions

What is the IUPAC name of 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline?
The IUPAC name of 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline (CID 174326633) is 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline.
What is the SMILES notation for 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline?
The canonical SMILES for 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline is Clc1cccc2ccc3c(c12)CCC1=C3C=CCC1.c1ccc(-c2ncc3ccccc3n2)cc1.
What is the InChIKey of 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline?
The InChIKey is MGEXAZZAFNNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl.C14H10N2/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17;1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h2-3,5-7,9-10H,1,4,8,11H2;1-10H.
What are the key properties of 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline?
10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline has a molecular weight of 473.02 g/mol, XLogP of 8.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline is sourced from PubChem (CID 174326633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).