6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol

C28H20N2O — CID 144827907

IUPAC6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc(C4=CCCC=C4)c4ccc5ccccc5c4n3)ccc2c1
InChIInChI=1S/C28H20N2O/c31-23-14-12-20-16-22(11-10-21(20)17-23)28-29-26(19-7-2-1-3-8-19)25-15-13-18-6-4-5-9-24(18)27(25)30-28/h2,4-17,31H,1,3H2
InChIKeyZSKHHPYUGZLHKU-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.04
Rot. Bonds2

About 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol

6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol (PubChem CID 144827907) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol
PubChem CID144827907
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol
SMILESOc1ccc2cc(-c3nc(C4=CCCC=C4)c4ccc5ccccc5c4n3)ccc2c1
InChIInChI=1S/C28H20N2O/c31-23-14-12-20-16-22(11-10-21(20)17-23)28-29-26(19-7-2-1-3-8-19)25-15-13-18-6-4-5-9-24(18)27(25)30-28/h2,4-17,31H,1,3H2
InChIKeyZSKHHPYUGZLHKU-UHFFFAOYSA-N
XLogP7.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-carbazol-9-ylphenyl)phenyl]-4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazoline
CID 144827866
2-chloro-4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazoline;ethane
CID 145334054
2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
CID 134432211
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
4-[6-[6-(9-cyclohexa-1,5-dien-1-yl-2,7-diphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
CID 91164569
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170144747
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167181703
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol?
The IUPAC name of 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol (CID 144827907) is 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol is Oc1ccc2cc(-c3nc(C4=CCCC=C4)c4ccc5ccccc5c4n3)ccc2c1.
What is the InChIKey of 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol?
The InChIKey is ZSKHHPYUGZLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c31-23-14-12-20-16-22(11-10-21(20)17-23)28-29-26(19-7-2-1-3-8-19)25-15-13-18-6-4-5-9-24(18)27(25)30-28/h2,4-17,31H,1,3H2.
What are the key properties of 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol?
6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol has a molecular weight of 400.48 g/mol, XLogP of 7.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 144827907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).