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

C43H29N5O — CID 176756148

IUPAC4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5oc(-c6ccccc6)nc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C43H29N5O/c1-43(2)33-19-9-6-15-28(33)32-25-27(23-24-34(32)43)39-45-40(31-18-12-22-37-38(31)44-41(49-37)26-13-4-3-5-14-26)47-42(46-39)48-35-20-10-7-16-29(35)30-17-8-11-21-36(30)48/h3-25H,1-2H3
InChIKeyYFXDIFXXVZUFCX-UHFFFAOYSA-N
MW631.74 g/mol
LogP10.42
Rot. Bonds4

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

4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 176756148) has the molecular formula C43H29N5O and a molecular weight of 631.74 g/mol. Its IUPAC name is 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID176756148
Molecular FormulaC43H29N5O
Molecular Weight631.74 g/mol
Exact Mass631.24
IUPAC Name4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5oc(-c6ccccc6)nc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C43H29N5O/c1-43(2)33-19-9-6-15-28(33)32-25-27(23-24-34(32)43)39-45-40(31-18-12-22-37-38(31)44-41(49-37)26-13-4-3-5-14-26)47-42(46-39)48-35-20-10-7-16-29(35)30-17-8-11-21-36(30)48/h3-25H,1-2H3
InChIKeyYFXDIFXXVZUFCX-UHFFFAOYSA-N
XLogP10.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756213
4-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 171756550
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583062
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299

Frequently Asked Questions

What is the IUPAC name of 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 176756148) is 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc5oc(-c6ccccc6)nc45)nc(-n4c5ccccc5c5ccccc54)n3)ccc21.
What is the InChIKey of 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is YFXDIFXXVZUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O/c1-43(2)33-19-9-6-15-28(33)32-25-27(23-24-34(32)43)39-45-40(31-18-12-22-37-38(31)44-41(49-37)26-13-4-3-5-14-26)47-42(46-39)48-35-20-10-7-16-29(35)30-17-8-11-21-36(30)48/h3-25H,1-2H3.
What are the key properties of 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 631.74 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 176756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).