2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole

C35H21N3O — CID 144661189

IUPAC2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc4c3ccc3ccccc34)cccc2c1
InChIInChI=1S/C35H21N3O/c1-3-11-26-22(8-1)10-7-13-28(26)33-29-21-20-23-9-2-4-12-27(23)32(29)37-34(38-33)24-16-18-25(19-17-24)35-36-30-14-5-6-15-31(30)39-35/h1-21H
InChIKeyRZVIFXARKJTKPL-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole

2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 144661189) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole
PubChem CID144661189
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc4c3ccc3ccccc34)cccc2c1
InChIInChI=1S/C35H21N3O/c1-3-11-26-22(8-1)10-7-13-28(26)33-29-21-20-23-9-2-4-12-27(23)32(29)37-34(38-33)24-16-18-25(19-17-24)35-36-30-14-5-6-15-31(30)39-35/h1-21H
InChIKeyRZVIFXARKJTKPL-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
CID 118529368
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline
CID 146261931
2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole
CID 122578278
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 159053845
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
5-dibenzofuran-3-yl-7-naphthalen-1-yl-12-thia-4,6-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 154600953
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole (CID 144661189) is 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole is c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6o5)cc4)nc4c3ccc3ccccc34)cccc2c1.
What is the InChIKey of 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is RZVIFXARKJTKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-3-11-26-22(8-1)10-7-13-28(26)33-29-21-20-23-9-2-4-12-27(23)32(29)37-34(38-33)24-16-18-25(19-17-24)35-36-30-14-5-6-15-31(30)39-35/h1-21H.
What are the key properties of 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole?
2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 144661189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).