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

C46H27N5O2 — CID 176756196

IUPAC7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C46H27N5O2/c1-3-14-28(15-4-1)30-26-27-35(42-40(30)33-20-9-12-25-39(33)52-42)44-48-43(34-21-13-22-36-41(34)53-45(47-36)29-16-5-2-6-17-29)49-46(50-44)51-37-23-10-7-18-31(37)32-19-8-11-24-38(32)51/h1-27H
InChIKeyFPEHAQRMZYHJKW-UHFFFAOYSA-N
MW681.76 g/mol
LogP11.68
Rot. Bonds5

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

7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 176756196) has the molecular formula C46H27N5O2 and a molecular weight of 681.76 g/mol. Its IUPAC name is 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID176756196
Molecular FormulaC46H27N5O2
Molecular Weight681.76 g/mol
Exact Mass681.22
IUPAC Name7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C46H27N5O2/c1-3-14-28(15-4-1)30-26-27-35(42-40(30)33-20-9-12-25-39(33)52-42)44-48-43(34-21-13-22-36-41(34)53-45(47-36)29-16-5-2-6-17-29)49-46(50-44)51-37-23-10-7-18-31(37)32-19-8-11-24-38(32)51/h1-27H
InChIKeyFPEHAQRMZYHJKW-UHFFFAOYSA-N
XLogP11.68
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.76
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
7-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 176756221
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583360
7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756182
7-[12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzoxazole
CID 166583457
2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176756303
4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline
CID 166974958
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284

Frequently Asked Questions

What is the IUPAC name of 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 176756196) is 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5ccc(-c6ccccc6)c6c5oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1.
What is the InChIKey of 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is FPEHAQRMZYHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5O2/c1-3-14-28(15-4-1)30-26-27-35(42-40(30)33-20-9-12-25-39(33)52-42)44-48-43(34-21-13-22-36-41(34)53-45(47-36)29-16-5-2-6-17-29)49-46(50-44)51-37-23-10-7-18-31(37)32-19-8-11-24-38(32)51/h1-27H.
What are the key properties of 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 681.76 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 176756196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).