7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole

C144H91N7O — CID 158509245

IUPAC7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C57H35N5.C45H31N.C42H25NO/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-52-29-14-12-27-47(52)50-34-53-49(35-54(50)62)46-26-11-13-28-51(46)61(53)40-21-15-20-38(32-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)48(45)33-39;1-45(2)41-20-9-7-18-36(41)39-26-40-37-19-8-10-21-43(37)46(44(40)27-42(39)45)30-13-11-12-28(24-30)29-22-23-35-33-16-4-3-14-31(33)32-15-5-6-17-34(32)38(35)25-29;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-23-27(20-21-33(31)36)26-10-9-11-28(22-26)43-39-18-7-5-16-34(39)37-24-38-35-17-6-8-19-41(35)44-42(38)25-40(37)43/h1-35H;3-27H,1-2H3;1-25H
InChIKeyHKVNSDWOVQZYPV-UHFFFAOYSA-N
MW1935.36 g/mol
LogP38.55
Rot. Bonds9

About 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole

7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 158509245) has the molecular formula C144H91N7O and a molecular weight of 1935.36 g/mol. Its IUPAC name is 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
PubChem CID158509245
Molecular FormulaC144H91N7O
Molecular Weight1935.36 g/mol
Exact Mass1933.73
IUPAC Name7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C57H35N5.C45H31N.C42H25NO/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-52-29-14-12-27-47(52)50-34-53-49(35-54(50)62)46-26-11-13-28-51(46)61(53)40-21-15-20-38(32-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)48(45)33-39;1-45(2)41-20-9-7-18-36(41)39-26-40-37-19-8-10-21-43(37)46(44(40)27-42(39)45)30-13-11-12-28(24-30)29-22-23-35-33-16-4-3-14-31(33)32-15-5-6-17-34(32)38(35)25-29;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-23-27(20-21-33(31)36)26-10-9-11-28(22-26)43-39-18-7-5-16-34(39)37-24-38-35-17-6-8-19-41(35)44-42(38)25-40(37)43/h1-35H;3-27H,1-2H3;1-25H
InChIKeyHKVNSDWOVQZYPV-UHFFFAOYSA-N
XLogP38.55
TPSA71.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms152
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001935.36
LogP ≤ 538.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole (CID 158509245) is 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HKVNSDWOVQZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5.C45H31N.C42H25NO/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-52-29-14-12-27-47(52)50-34-53-49(35-54(50)62)46-26-11-13-28-51(46)61(53)40-21-15-20-38(32-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)48(45)33-39;1-45(2)41-20-9-7-18-36(41)39-26-40-37-19-8-10-21-43(37)46(44(40)27-42(39)45)30-13-11-12-28(24-30)29-22-23-35-33-16-4-3-14-31(33)32-15-5-6-17-34(32)38(35)25-29;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-23-27(20-21-33(31)36)26-10-9-11-28(22-26)43-39-18-7-5-16-34(39)37-24-38-35-17-6-8-19-41(35)44-42(38)25-40(37)43/h1-35H;3-27H,1-2H3;1-25H.
What are the key properties of 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole?
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1935.36 g/mol, XLogP of 38.55, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 158509245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).