1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

C51H31N5O — CID 171591687

IUPAC1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccc6oc7cccc(-n8c9ccccc9c9ccccc98)c7c6c5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)39-25-14-24-37-38-30-31-44-46(48(38)55(47(37)39)34-20-8-3-9-21-34)45-42(28-15-29-43(45)57-44)56-40-26-12-10-22-35(40)36-23-11-13-27-41(36)56/h1-31H
InChIKeyXFHVMHKCKFOHAK-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

About 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 171591687) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID171591687
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccc6oc7cccc(-n8c9ccccc9c9ccccc98)c7c6c5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)39-25-14-24-37-38-30-31-44-46(48(38)55(47(37)39)34-20-8-3-9-21-34)45-42(28-15-29-43(45)57-44)56-40-26-12-10-22-35(40)36-23-11-13-27-41(36)56/h1-31H
InChIKeyXFHVMHKCKFOHAK-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171591732
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
1-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460080
12-phenyl-11-(3-phenylcarbazol-9-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 171591767
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 170080011

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 171591687) is 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5ccc6oc7cccc(-n8c9ccccc9c9ccccc98)c7c6c5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is XFHVMHKCKFOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)39-25-14-24-37-38-30-31-44-46(48(38)55(47(37)39)34-20-8-3-9-21-34)45-42(28-15-29-43(45)57-44)56-40-26-12-10-22-35(40)36-23-11-13-27-41(36)56/h1-31H.
What are the key properties of 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 171591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).