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

C40H23N5O2 — CID 171756550

IUPAC4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cccc3o2)cc1
InChIInChI=1S/C40H23N5O2/c1-2-11-24(12-3-1)39-41-36-30(16-10-20-34(36)47-39)38-42-37(25-21-22-29-28-15-6-9-19-33(28)46-35(29)23-25)43-40(44-38)45-31-17-7-4-13-26(31)27-14-5-8-18-32(27)45/h1-23H
InChIKeyAANNAJQXXNWKRR-UHFFFAOYSA-N
MW605.66 g/mol
LogP10.01
Rot. Bonds4

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

4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 171756550) has the molecular formula C40H23N5O2 and a molecular weight of 605.66 g/mol. Its IUPAC name is 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
PubChem CID171756550
Molecular FormulaC40H23N5O2
Molecular Weight605.66 g/mol
Exact Mass605.19
IUPAC Name4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cccc3o2)cc1
InChIInChI=1S/C40H23N5O2/c1-2-11-24(12-3-1)39-41-36-30(16-10-20-34(36)47-39)38-42-37(25-21-22-29-28-15-6-9-19-33(28)46-35(29)23-25)43-40(44-38)45-31-17-7-4-13-26(31)27-14-5-8-18-32(27)45/h1-23H
InChIKeyAANNAJQXXNWKRR-UHFFFAOYSA-N
XLogP10.01
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.66
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756148
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
9-[4-(7-carbazol-9-yldibenzofuran-1-yl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]carbazole
CID 170372151
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole (CID 171756550) is 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3c(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6ccccc65)n4)cccc3o2)cc1.
What is the InChIKey of 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is AANNAJQXXNWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5O2/c1-2-11-24(12-3-1)39-41-36-30(16-10-20-34(36)47-39)38-42-37(25-21-22-29-28-15-6-9-19-33(28)46-35(29)23-25)43-40(44-38)45-31-17-7-4-13-26(31)27-14-5-8-18-32(27)45/h1-23H.
What are the key properties of 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole?
4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 605.66 g/mol, XLogP of 10.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 171756550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).