2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol

C43H29NO — CID 138968799

IUPAC2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol
SMILESOc1c(-c2nc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C43H29NO/c45-43-36-28-16-14-26-34(36)37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)40(43)42-35-27-15-13-25-33(35)38(30-19-7-2-8-20-30)41(44-42)32-23-11-4-12-24-32/h1-28,45H
InChIKeyHBPMTBDQFOKRIN-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.43
Rot. Bonds5

About 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol

2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol (PubChem CID 138968799) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol.

Molecular Properties

Compound Name2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol
PubChem CID138968799
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol
SMILESOc1c(-c2nc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C43H29NO/c45-43-36-28-16-14-26-34(36)37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)40(43)42-35-27-15-13-25-33(35)38(30-19-7-2-8-20-30)41(44-42)32-23-11-4-12-24-32/h1-28,45H
InChIKeyHBPMTBDQFOKRIN-UHFFFAOYSA-N
XLogP11.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Isoquinolinol, 7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,3-dimethyl-
CID 135513142
2-Benzo[a]phenazin-5-ylnaphthalen-1-ol
CID 136007823
2-[6-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100804
12-Phenylbenzo[b]acridin-9-ol;hydrochloride
CID 137641590
12-Phenylbenzo[b]acridin-3-ol;hydrochloride
CID 137643006
Dioncophylleine D
CID 135448211
Ent-Dioncophylleine A
CID 135497074
2-[6-(3-Hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
CID 136159613
2-[4-(3-Hydroxyphenyl)-6-phenyl-2-pyridinyl]phenol
CID 136159617
2-[6-(3-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100812
2-(8-Amino-4-phenyl-5,6-dihydrobenzo[h]quinolin-2-yl)phenol
CID 166627809
2-[6-(2-Hydroxyphenyl)-4-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100805

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol?
The IUPAC name of 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol (CID 138968799) is 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol.
What is the SMILES notation for 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol?
The canonical SMILES for 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol is Oc1c(-c2nc(-c3ccccc3)c(-c3ccccc3)c3ccccc23)c(-c2ccccc2)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol?
The InChIKey is HBPMTBDQFOKRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c45-43-36-28-16-14-26-34(36)37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)40(43)42-35-27-15-13-25-33(35)38(30-19-7-2-8-20-30)41(44-42)32-23-11-4-12-24-32/h1-28,45H.
What are the key properties of 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol?
2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol has a molecular weight of 575.71 g/mol, XLogP of 11.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylisoquinolin-1-yl)-3,4-diphenylnaphthalen-1-ol is sourced from PubChem (CID 138968799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).