2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole

C99H60N16 — CID 158179675

IUPAC2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cnc5ccccc5n4)ccc32)cc1.c1ccc2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4n4c5ccccc5nc34)cnc2c1.c1ccc2nc(-n3c4ccccc4n4c5ccccc5nc34)ncc2c1
InChIInChI=1S/C39H24N6.C39H23N5.C21H13N5/c1-2-10-27(11-3-1)43-33-16-8-4-12-28(33)29-22-25(18-20-34(29)43)26-19-21-36-37(23-26)44-35-17-9-7-15-32(35)42-39(44)45(36)38-24-40-30-13-5-6-14-31(30)41-38;1-2-11-28-26(9-1)27-10-3-4-12-29(27)31-21-24(17-19-30(28)31)25-18-20-36-37(22-25)43-35-16-8-7-15-34(35)42-39(43)44(36)38-23-40-32-13-5-6-14-33(32)41-38;1-2-8-15-14(7-1)13-22-20(23-15)26-19-12-6-5-11-18(19)25-17-10-4-3-9-16(17)24-21(25)26/h1-24H;1-23H;1-13H
InChIKeyFYKTVWVQQZMGMQ-UHFFFAOYSA-N
MW1473.68 g/mol
LogP23.01
Rot. Bonds6

About 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole

2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 158179675) has the molecular formula C99H60N16 and a molecular weight of 1473.68 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
PubChem CID158179675
Molecular FormulaC99H60N16
Molecular Weight1473.68 g/mol
Exact Mass1472.52
IUPAC Name2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cnc5ccccc5n4)ccc32)cc1.c1ccc2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4n4c5ccccc5nc34)cnc2c1.c1ccc2nc(-n3c4ccccc4n4c5ccccc5nc34)ncc2c1
InChIInChI=1S/C39H24N6.C39H23N5.C21H13N5/c1-2-10-27(11-3-1)43-33-16-8-4-12-28(33)29-22-25(18-20-34(29)43)26-19-21-36-37(23-26)44-35-17-9-7-15-32(35)42-39(44)45(36)38-24-40-30-13-5-6-14-31(30)41-38;1-2-11-28-26(9-1)27-10-3-4-12-29(27)31-21-24(17-19-30(28)31)25-18-20-36-37(22-25)43-35-16-8-7-15-34(35)42-39(43)44(36)38-23-40-32-13-5-6-14-33(32)41-38;1-2-8-15-14(7-1)13-22-20(23-15)26-19-12-6-5-11-18(19)25-17-10-4-3-9-16(17)24-21(25)26/h1-24H;1-23H;1-13H
InChIKeyFYKTVWVQQZMGMQ-UHFFFAOYSA-N
XLogP23.01
TPSA148.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.68
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

methane;2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 159554746
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 163720312
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646730
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 158372183
9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 139315810
2-dibenzothiophen-4-yl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(3-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-(4-phenylphenyl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;2-phenyl-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 160750718
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
11-(2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
CID 138463325
12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole (CID 158179675) is 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n4c6ccccc6nc4n5-c4cnc5ccccc5n4)ccc32)cc1.c1ccc2nc(-n3c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4n4c5ccccc5nc34)cnc2c1.c1ccc2nc(-n3c4ccccc4n4c5ccccc5nc34)ncc2c1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is FYKTVWVQQZMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6.C39H23N5.C21H13N5/c1-2-10-27(11-3-1)43-33-16-8-4-12-28(33)29-22-25(18-20-34(29)43)26-19-21-36-37(23-26)44-35-17-9-7-15-32(35)42-39(44)45(36)38-24-40-30-13-5-6-14-31(30)41-38;1-2-11-28-26(9-1)27-10-3-4-12-29(27)31-21-24(17-19-30(28)31)25-18-20-36-37(22-25)43-35-16-8-7-15-34(35)42-39(43)44(36)38-23-40-32-13-5-6-14-33(32)41-38;1-2-8-15-14(7-1)13-22-20(23-15)26-19-12-6-5-11-18(19)25-17-10-4-3-9-16(17)24-21(25)26/h1-24H;1-23H;1-13H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole?
2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1473.68 g/mol, XLogP of 23.01, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-5-quinoxalin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinazolin-2-ylbenzimidazolo[1,2-a]benzimidazole;5-quinoxalin-2-yl-2-triphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 158179675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).