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

C67H42N6O — CID 164951422

IUPAC1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cn4)cnc3-c3cccc4oc5cc6c(cc5c34)c3ccccc3n6-c3ccccc3)n2)cc1
InChIInChI=1S/C67H42N6O/c1-6-20-43(21-7-1)50-31-18-32-51(44-22-8-2-9-23-44)62(50)47-36-37-57(68-41-47)48-38-56(67-71-65(45-24-10-3-11-25-45)70-66(72-67)46-26-12-4-13-27-46)64(69-42-48)53-33-19-35-60-63(53)55-39-54-52-30-16-17-34-58(52)73(49-28-14-5-15-29-49)59(54)40-61(55)74-60/h1-42H
InChIKeyOLMFGXOSHGVQCY-UHFFFAOYSA-N
MW947.11 g/mol
LogP16.99
Rot. Bonds9

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

1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 164951422) has the molecular formula C67H42N6O and a molecular weight of 947.11 g/mol. Its IUPAC name is 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID164951422
Molecular FormulaC67H42N6O
Molecular Weight947.11 g/mol
Exact Mass946.34
IUPAC Name1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cn4)cnc3-c3cccc4oc5cc6c(cc5c34)c3ccccc3n6-c3ccccc3)n2)cc1
InChIInChI=1S/C67H42N6O/c1-6-20-43(21-7-1)50-31-18-32-51(44-22-8-2-9-23-44)62(50)47-36-37-57(68-41-47)48-38-56(67-71-65(45-24-10-3-11-25-45)70-66(72-67)46-26-12-4-13-27-46)64(69-42-48)53-33-19-35-60-63(53)55-39-54-52-30-16-17-34-58(52)73(49-28-14-5-15-29-49)59(54)40-61(55)74-60/h1-42H
InChIKeyOLMFGXOSHGVQCY-UHFFFAOYSA-N
XLogP16.99
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.11
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 153460067
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
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
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
1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163898329
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163645340
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108
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
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
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,7-diphenyl-[1]benzofuro[2,3-b]carbazole
CID 163749487
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
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153460342

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 164951422) is 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cn4)cnc3-c3cccc4oc5cc6c(cc5c34)c3ccccc3n6-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is OLMFGXOSHGVQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N6O/c1-6-20-43(21-7-1)50-31-18-32-51(44-22-8-2-9-23-44)62(50)47-36-37-57(68-41-47)48-38-56(67-71-65(45-24-10-3-11-25-45)70-66(72-67)46-26-12-4-13-27-46)64(69-42-48)53-33-19-35-60-63(53)55-39-54-52-30-16-17-34-58(52)73(49-28-14-5-15-29-49)59(54)40-61(55)74-60/h1-42H.
What are the key properties of 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 947.11 g/mol, XLogP of 16.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 164951422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).