3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C56H35N5O — CID 153459725

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)oc4cc6c(cc45)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H35N5O/c1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-46-44-26-13-14-27-49(44)61(43-24-11-4-12-25-43)50(46)34-52(47)62-51(45)32-41/h1-35H
InChIKeyDWWRZLMDFZHVBQ-UHFFFAOYSA-N
MW793.93 g/mol
LogP14.27
Rot. Bonds7

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 153459725) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID153459725
Molecular FormulaC56H35N5O
Molecular Weight793.93 g/mol
Exact Mass793.28
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)oc4cc6c(cc45)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H35N5O/c1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-46-44-26-13-14-27-49(44)61(43-24-11-4-12-25-43)50(46)34-52(47)62-51(45)32-41/h1-35H
InChIKeyDWWRZLMDFZHVBQ-UHFFFAOYSA-N
XLogP14.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 153459819
2-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 153460408
2-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 153024627
1-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 161039820
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153459518
11-phenyl-3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163682982
3-[5-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153460262
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
3-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153459949
4-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 147858176
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 153459725) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2cccc(-c3cnc(-c4ccc5c(c4)oc4cc6c(cc45)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is DWWRZLMDFZHVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-5-16-36(17-6-1)39-22-15-23-40(30-39)42-31-48(56-59-54(37-18-7-2-8-19-37)58-55(60-56)38-20-9-3-10-21-38)53(57-35-42)41-28-29-45-47-33-46-44-26-13-14-27-49(44)61(43-24-11-4-12-25-43)50(46)34-52(47)62-51(45)32-41/h1-35H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 793.93 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 153459725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).