1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol

C50H35NO — CID 136677880

IUPAC1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
SMILESCc1nc(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c(-c2ccccc2)c2cc(O)ccc12
InChIInChI=1S/C50H35NO/c1-33-40-31-30-39(52)32-43(40)45(35-20-9-3-10-21-35)50(51-33)42-29-17-28-41-44(34-18-7-2-8-19-34)46(36-22-11-4-12-23-36)47(37-24-13-5-14-25-37)48(49(41)42)38-26-15-6-16-27-38/h2-32,52H,1H3
InChIKeyGMEMFDNITZMFEE-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.40
Rot. Bonds6

About 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol

1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol (PubChem CID 136677880) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
PubChem CID136677880
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol
SMILESCc1nc(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c(-c2ccccc2)c2cc(O)ccc12
InChIInChI=1S/C50H35NO/c1-33-40-31-30-39(52)32-43(40)45(35-20-9-3-10-21-35)50(51-33)42-29-17-28-41-44(34-18-7-2-8-19-34)46(36-22-11-4-12-23-36)47(37-24-13-5-14-25-37)48(49(41)42)38-26-15-6-16-27-38/h2-32,52H,1H3
InChIKeyGMEMFDNITZMFEE-UHFFFAOYSA-N
XLogP13.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3,4-diphenyl-2-(5,6,7,8-tetraphenylnaphthalen-1-yl)pyridine
CID 135022048
8-bromo-1-methyl-3,4-diphenylisoquinoline
CID 138975285
9-(3,5-diphenylphenyl)-10-naphthalen-1-ylanthracen-2-ol
CID 89327969
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
CID 134842596
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
9-naphthalen-1-ylacridin-3-ol
CID 136705128
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
1-phenylnaphthalene-2,7-diol
CID 118054370

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol?
The IUPAC name of 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol (CID 136677880) is 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol.
What is the SMILES notation for 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol?
The canonical SMILES for 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol is Cc1nc(-c2cccc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c23)c(-c2ccccc2)c2cc(O)ccc12.
What is the InChIKey of 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol?
The InChIKey is GMEMFDNITZMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-33-40-31-30-39(52)32-43(40)45(35-20-9-3-10-21-35)50(51-33)42-29-17-28-41-44(34-18-7-2-8-19-34)46(36-22-11-4-12-23-36)47(37-24-13-5-14-25-37)48(49(41)42)38-26-15-6-16-27-38/h2-32,52H,1H3.
What are the key properties of 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol?
1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol has a molecular weight of 665.84 g/mol, XLogP of 13.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinolin-6-ol is sourced from PubChem (CID 136677880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).