8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline

C34H29N — CID 174694275

IUPAC8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
SMILESCc1cc(-c2ccccc2)c2c3c(ccc2c1)C1=C(CCC=C1)CC3.c1ccc2ncccc2c1
InChIInChI=1S/C25H22.C9H7N/c1-17-15-20-12-13-22-21-10-6-5-9-19(21)11-14-23(22)25(20)24(16-17)18-7-3-2-4-8-18;1-2-6-9-8(4-1)5-3-7-10-9/h2-4,6-8,10,12-13,15-16H,5,9,11,14H2,1H3;1-7H
InChIKeyYIZFTYJUMVINPC-UHFFFAOYSA-N
MW451.61 g/mol
LogP9.10
Rot. Bonds1

About 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline

8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline (PubChem CID 174694275) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline.

Molecular Properties

Compound Name8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
PubChem CID174694275
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Name8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
SMILESCc1cc(-c2ccccc2)c2c3c(ccc2c1)C1=C(CCC=C1)CC3.c1ccc2ncccc2c1
InChIInChI=1S/C25H22.C9H7N/c1-17-15-20-12-13-22-21-10-6-5-9-19(21)11-14-23(22)25(20)24(16-17)18-7-3-2-4-8-18;1-2-6-9-8(4-1)5-3-7-10-9/h2-4,6-8,10,12-13,15-16H,5,9,11,14H2,1H3;1-7H
InChIKeyYIZFTYJUMVINPC-UHFFFAOYSA-N
XLogP9.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
10-chloro-1,2,11,12-tetrahydrochrysene;2-phenylquinazoline
CID 174326633
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
CID 174912201
8-methyl-1,2,11,12-tetrahydrochrysene;pyrido[4,3-d]pyrimidine;hydrochloride
CID 174340727
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
CID 174797668
1,6-naphthyridine;4-(5,6,7,8-tetrahydrochrysen-2-ylmethyl)morpholine
CID 175242041
7,8-dimethyl-1,2,11,12-tetrahydrochrysene;quinazoline-2,4-diamine
CID 174573297
2-bromo-3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)pyridine;2H-phthalazin-1-one
CID 174699692
cinnoline;methane;4-phenyl-7,8-dihydro-6H-chrysen-5-imine
CID 175237081

Frequently Asked Questions

What is the IUPAC name of 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline?
The IUPAC name of 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline (CID 174694275) is 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline.
What is the SMILES notation for 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline?
The canonical SMILES for 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline is Cc1cc(-c2ccccc2)c2c3c(ccc2c1)C1=C(CCC=C1)CC3.c1ccc2ncccc2c1.
What is the InChIKey of 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline?
The InChIKey is YIZFTYJUMVINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22.C9H7N/c1-17-15-20-12-13-22-21-10-6-5-9-19(21)11-14-23(22)25(20)24(16-17)18-7-3-2-4-8-18;1-2-6-9-8(4-1)5-3-7-10-9/h2-4,6-8,10,12-13,15-16H,5,9,11,14H2,1H3;1-7H.
What are the key properties of 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline?
8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline has a molecular weight of 451.61 g/mol, XLogP of 9.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline is sourced from PubChem (CID 174694275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).