9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole

C50H30N6O — CID 176634742

IUPAC9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccccc7c56)cccc43)n2)cc1
InChIInChI=1S/C50H30N6O/c1-2-14-31(15-3-1)48-52-49(37-18-6-10-24-41(37)55-39-22-8-4-16-32(39)33-28-29-51-30-43(33)55)54-50(53-48)56-40-23-9-5-17-36(40)46-34(20-12-25-42(46)56)35-21-13-27-45-47(35)38-19-7-11-26-44(38)57-45/h1-30H
InChIKeyUUFDTYPCYFYURC-UHFFFAOYSA-N
MW730.83 g/mol
LogP12.36
Rot. Bonds5

About 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole

9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole (PubChem CID 176634742) has the molecular formula C50H30N6O and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
PubChem CID176634742
Molecular FormulaC50H30N6O
Molecular Weight730.83 g/mol
Exact Mass730.25
IUPAC Name9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccccc7c56)cccc43)n2)cc1
InChIInChI=1S/C50H30N6O/c1-2-14-31(15-3-1)48-52-49(37-18-6-10-24-41(37)55-39-22-8-4-16-32(39)33-28-29-51-30-43(33)55)54-50(53-48)56-40-23-9-5-17-36(40)46-34(20-12-25-42(46)56)35-21-13-27-45-47(35)38-19-7-11-26-44(38)57-45/h1-30H
InChIKeyUUFDTYPCYFYURC-UHFFFAOYSA-N
XLogP12.36
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634502
5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634797
4-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273028
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
3-dibenzofuran-1-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-1-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-1-yl-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165084980
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole (CID 176634742) is 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccccc7c56)cccc43)n2)cc1.
What is the InChIKey of 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole?
The InChIKey is UUFDTYPCYFYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6O/c1-2-14-31(15-3-1)48-52-49(37-18-6-10-24-41(37)55-39-22-8-4-16-32(39)33-28-29-51-30-43(33)55)54-50(53-48)56-40-23-9-5-17-36(40)46-34(20-12-25-42(46)56)35-21-13-27-45-47(35)38-19-7-11-26-44(38)57-45/h1-30H.
What are the key properties of 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole?
9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole has a molecular weight of 730.83 g/mol, XLogP of 12.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-dibenzofuran-1-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 176634742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).