7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole

C38H23N5O — CID 176756155

IUPAC7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5cccc6ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C38H23N5O/c1-2-13-25(14-3-1)37-39-31-21-11-20-30(34(31)44-37)36-40-35(29-19-10-15-24-12-4-5-16-26(24)29)41-38(42-36)43-32-22-8-6-17-27(32)28-18-7-9-23-33(28)43/h1-23H
InChIKeyDXZHWMDOIKZYMR-UHFFFAOYSA-N
MW565.64 g/mol
LogP9.26
Rot. Bonds4

About 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole

7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 176756155) has the molecular formula C38H23N5O and a molecular weight of 565.64 g/mol. Its IUPAC name is 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
PubChem CID176756155
Molecular FormulaC38H23N5O
Molecular Weight565.64 g/mol
Exact Mass565.19
IUPAC Name7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5cccc6ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C38H23N5O/c1-2-13-25(14-3-1)37-39-31-21-11-20-30(34(31)44-37)36-40-35(29-19-10-15-24-12-4-5-16-26(24)29)41-38(42-36)43-32-22-8-6-17-27(32)28-18-7-9-23-33(28)43/h1-23H
InChIKeyDXZHWMDOIKZYMR-UHFFFAOYSA-N
XLogP9.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
2-phenyl-7-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582921
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
2-phenyl-7-[4-phenyl-6-(11-quinolin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583361
2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176756303
2-phenyl-7-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166582816
7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756280
7-[12-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-(3-phenylphenyl)-1,3-benzoxazole
CID 166583018
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (CID 176756155) is 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5cccc6ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1.
What is the InChIKey of 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is DXZHWMDOIKZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-2-13-25(14-3-1)37-39-31-21-11-20-30(34(31)44-37)36-40-35(29-19-10-15-24-12-4-5-16-26(24)29)41-38(42-36)43-32-22-8-6-17-27(32)28-18-7-9-23-33(28)43/h1-23H.
What are the key properties of 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 565.64 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 176756155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).