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

C46H29N5O — CID 149472861

IUPAC2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cc(-c4nc5ccccc5o4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-15-30(16-4-1)33-19-7-8-22-36(33)44-48-43(31-17-5-2-6-18-31)49-45(50-44)37-29-32(46-47-38-23-11-14-26-42(38)52-46)27-28-41(37)51-39-24-12-9-20-34(39)35-21-10-13-25-40(35)51/h1-29H
InChIKeyZBRXDFCEWHRSMZ-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.44
Rot. Bonds6

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

2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 149472861) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID149472861
Molecular FormulaC46H29N5O
Molecular Weight667.77 g/mol
Exact Mass667.24
IUPAC Name2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cc(-c4nc5ccccc5o4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H29N5O/c1-3-15-30(16-4-1)33-19-7-8-22-36(33)44-48-43(31-17-5-2-6-18-31)49-45(50-44)37-29-32(46-47-38-23-11-14-26-42(38)52-46)27-28-41(37)51-39-24-12-9-20-34(39)35-21-10-13-25-40(35)51/h1-29H
InChIKeyZBRXDFCEWHRSMZ-UHFFFAOYSA-N
XLogP11.44
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-1,3-benzoxazole
CID 163761982
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzoxazole
CID 162481679
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 149442603
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
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
2-[3-[12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166582879
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162486312
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
CID 155444593
2-[2-[12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583272

Frequently Asked Questions

What is the IUPAC name of 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole (CID 149472861) is 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3cc(-c4nc5ccccc5o4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is ZBRXDFCEWHRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-3-15-30(16-4-1)33-19-7-8-22-36(33)44-48-43(31-17-5-2-6-18-31)49-45(50-44)37-29-32(46-47-38-23-11-14-26-42(38)52-46)27-28-41(37)51-39-24-12-9-20-34(39)35-21-10-13-25-40(35)51/h1-29H.
What are the key properties of 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole?
2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbazol-9-yl-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 149472861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).