9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole

C50H31N5O — CID 169276097

IUPAC9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-10-32(11-4-1)34-17-21-36(22-18-34)47-52-48(37-23-19-35(20-24-37)33-12-5-2-6-13-33)54-49(53-47)38-25-27-41-42-28-26-39(31-46(42)56-45(41)30-38)55-44-16-8-7-14-40(44)43-15-9-29-51-50(43)55/h1-31H
InChIKeyBAUQCSLYECNSST-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.60
Rot. Bonds6

About 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole

9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole (PubChem CID 169276097) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
PubChem CID169276097
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-10-32(11-4-1)34-17-21-36(22-18-34)47-52-48(37-23-19-35(20-24-37)33-12-5-2-6-13-33)54-49(53-47)38-25-27-41-42-28-26-39(31-46(42)56-45(41)30-38)55-44-16-8-7-14-40(44)43-15-9-29-51-50(43)55/h1-31H
InChIKeyBAUQCSLYECNSST-UHFFFAOYSA-N
XLogP12.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole with MolForge

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Related Compounds

9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577807
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276091
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577740
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804
12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 146506989
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole (CID 169276097) is 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)cc2)cc1.
What is the InChIKey of 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole?
The InChIKey is BAUQCSLYECNSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-10-32(11-4-1)34-17-21-36(22-18-34)47-52-48(37-23-19-35(20-24-37)33-12-5-2-6-13-33)54-49(53-47)38-25-27-41-42-28-26-39(31-46(42)56-45(41)30-38)55-44-16-8-7-14-40(44)43-15-9-29-51-50(43)55/h1-31H.
What are the key properties of 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole?
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole has a molecular weight of 717.83 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 169276097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).