12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

C43H31N5O — CID 176623225

IUPAC12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C43H31N5O/c1-43(2,3)41-44-40(45-42(46-41)48-33-20-10-4-14-26(33)27-15-5-11-21-34(27)48)30-17-7-12-22-35(30)47-32-19-9-6-16-28(32)29-24-25-37-38(39(29)47)31-18-8-13-23-36(31)49-37/h4-25H,1-3H3
InChIKeyKFKJCPYOYHZDJF-UHFFFAOYSA-N
MW633.76 g/mol
LogP10.93
Rot. Bonds3

About 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 176623225) has the molecular formula C43H31N5O and a molecular weight of 633.76 g/mol. Its IUPAC name is 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID176623225
Molecular FormulaC43H31N5O
Molecular Weight633.76 g/mol
Exact Mass633.25
IUPAC Name12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C43H31N5O/c1-43(2,3)41-44-40(45-42(46-41)48-33-20-10-4-14-26(33)27-15-5-11-21-34(27)48)30-17-7-12-22-35(30)47-32-19-9-6-16-28(32)29-24-25-37-38(39(29)47)31-18-8-13-23-36(31)49-37/h4-25H,1-3H3
InChIKeyKFKJCPYOYHZDJF-UHFFFAOYSA-N
XLogP10.93
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.76
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)-6-carbazol-9-ylphenyl]carbazole
CID 170007634
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 170008009
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
12-[2-(9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805651
12-[2-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 169014581
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 129141729
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 176837422
12-[4-[4-(2-carbazol-9-yl-5-phenylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 139303243
12-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-[(3S,7R)-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 176623162

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 176623225) is 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is CC(C)(C)c1nc(-c2ccccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is KFKJCPYOYHZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5O/c1-43(2,3)41-44-40(45-42(46-41)48-33-20-10-4-14-26(33)27-15-5-11-21-34(27)48)30-17-7-12-22-35(30)47-32-19-9-6-16-28(32)29-24-25-37-38(39(29)47)31-18-8-13-23-36(31)49-37/h4-25H,1-3H3.
What are the key properties of 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 633.76 g/mol, XLogP of 10.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-tert-butyl-6-carbazol-9-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 176623225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).