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

C43H29N5O — CID 176756213

IUPAC5-[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(-c4ccc5oc(-c6ccccc6)nc5c4)nc(-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C43H29N5O/c1-43(2)33-17-9-6-14-29(33)32-24-27(20-22-34(32)43)39-45-40(28-21-23-38-35(25-28)44-41(49-38)26-12-4-3-5-13-26)47-42(46-39)48-36-18-10-7-15-30(36)31-16-8-11-19-37(31)48/h3-25H,1-2H3
InChIKeyKPQOOGJSQDBEDG-UHFFFAOYSA-N
MW631.74 g/mol
LogP10.42
Rot. Bonds4

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

5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 176756213) has the molecular formula C43H29N5O and a molecular weight of 631.74 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID176756213
Molecular FormulaC43H29N5O
Molecular Weight631.74 g/mol
Exact Mass631.24
IUPAC Name5-[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(-c4ccc5oc(-c6ccccc6)nc5c4)nc(-n4c5ccccc5c5ccccc54)n3)ccc21
InChIInChI=1S/C43H29N5O/c1-43(2)33-17-9-6-14-29(33)32-24-27(20-22-34(32)43)39-45-40(28-21-23-38-35(25-28)44-41(49-38)26-12-4-3-5-13-26)47-42(46-39)48-36-18-10-7-15-30(36)31-16-8-11-19-37(31)48/h3-25H,1-2H3
InChIKeyKPQOOGJSQDBEDG-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

4-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756148
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
2-[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
CID 162481682
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
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
6-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 171756611
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246

Frequently Asked Questions

What is the IUPAC name of 5-[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 5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 176756213) is 5-[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 5-[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 5-[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(-c4ccc5oc(-c6ccccc6)nc5c4)nc(-n4c5ccccc5c5ccccc54)n3)ccc21.
What is the InChIKey of 5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is KPQOOGJSQDBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O/c1-43(2)33-17-9-6-14-29(33)32-24-27(20-22-34(32)43)39-45-40(28-21-23-38-35(25-28)44-41(49-38)26-12-4-3-5-13-26)47-42(46-39)48-36-18-10-7-15-30(36)31-16-8-11-19-37(31)48/h3-25H,1-2H3.
What are the key properties of 5-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
5-[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 5-[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 176756213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).