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

C53H33N5O — CID 176756280

IUPAC7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C53H33N5O/c1-4-17-34(18-5-1)51-54-45-28-16-26-42(48(45)59-51)50-55-49(56-52(57-50)58-46-29-14-11-24-40(46)41-25-12-15-30-47(41)58)35-31-32-39-38-23-10-13-27-43(38)53(44(39)33-35,36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-33H
InChIKeyHJMGGPJEPDDNDI-UHFFFAOYSA-N
MW755.88 g/mol
LogP12.47
Rot. Bonds6

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

7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 176756280) has the molecular formula C53H33N5O and a molecular weight of 755.88 g/mol. Its IUPAC name is 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID176756280
Molecular FormulaC53H33N5O
Molecular Weight755.88 g/mol
Exact Mass755.27
IUPAC Name7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1
InChIInChI=1S/C53H33N5O/c1-4-17-34(18-5-1)51-54-45-28-16-26-42(48(45)59-51)50-55-49(56-52(57-50)58-46-29-14-11-24-40(46)41-25-12-15-30-47(41)58)35-31-32-39-38-23-10-13-27-43(38)53(44(39)33-35,36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-33H
InChIKeyHJMGGPJEPDDNDI-UHFFFAOYSA-N
XLogP12.47
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.88
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-7-[4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166582891
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
7-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-[4-(9-phenylfluoren-9-yl)phenyl]-1,3-benzoxazole
CID 166583200
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
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-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
9-[4-carbazol-9-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742543
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
CID 163876379

Frequently Asked Questions

What is the IUPAC name of 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole (CID 176756280) is 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-n5c6ccccc6c6ccccc65)n4)c3o2)cc1.
What is the InChIKey of 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is HJMGGPJEPDDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5O/c1-4-17-34(18-5-1)51-54-45-28-16-26-42(48(45)59-51)50-55-49(56-52(57-50)58-46-29-14-11-24-40(46)41-25-12-15-30-47(41)58)35-31-32-39-38-23-10-13-27-43(38)53(44(39)33-35,36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-33H.
What are the key properties of 7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole?
7-[4-carbazol-9-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 755.88 g/mol, XLogP of 12.47, 6 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-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 176756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).