5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

C84H50N12 — CID 139315832

IUPAC5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc4cc(-c5ccc6c7cc(-n8c9ccccc9n9c%10ccccc%10nc89)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c6c5)ccc34)cc2)cc1
InChIInChI=1S/C84H50N12/c1-3-19-51(20-4-1)52-35-37-54(38-36-52)80-62-44-40-55(47-68(62)86-82(90-80)93-69-28-12-8-23-59(69)63-49-57(41-45-70(63)93)91-74-31-15-17-33-76(74)95-72-29-13-10-26-66(72)87-83(91)95)56-39-43-60-64-50-58(92-75-32-16-18-34-77(75)96-73-30-14-11-27-67(73)88-84(92)96)42-46-71(64)94(78(60)48-56)81-85-65-25-9-7-24-61(65)79(89-81)53-21-5-2-6-22-53/h1-50H
InChIKeyLVSKLQLHHZCBIQ-UHFFFAOYSA-N
MW1227.41 g/mol
LogP19.92
Rot. Bonds8

About 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole

5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 139315832) has the molecular formula C84H50N12 and a molecular weight of 1227.41 g/mol. Its IUPAC name is 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID139315832
Molecular FormulaC84H50N12
Molecular Weight1227.41 g/mol
Exact Mass1226.43
IUPAC Name5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc4cc(-c5ccc6c7cc(-n8c9ccccc9n9c%10ccccc%10nc89)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c6c5)ccc34)cc2)cc1
InChIInChI=1S/C84H50N12/c1-3-19-51(20-4-1)52-35-37-54(38-36-52)80-62-44-40-55(47-68(62)86-82(90-80)93-69-28-12-8-23-59(69)63-49-57(41-45-70(63)93)91-74-31-15-17-33-76(74)95-72-29-13-10-26-66(72)87-83(91)95)56-39-43-60-64-50-58(92-75-32-16-18-34-77(75)96-73-30-14-11-27-67(73)88-84(92)96)42-46-71(64)94(78(60)48-56)81-85-65-25-9-7-24-61(65)79(89-81)53-21-5-2-6-22-53/h1-50H
InChIKeyLVSKLQLHHZCBIQ-UHFFFAOYSA-N
XLogP19.92
TPSA105.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.41
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

5-[9-(4,6-diphenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315629
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163545205
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-carbazol-9-yl-9-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)carbazole;3-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 167583458
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
9-(4-methylphenyl)-14-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201968
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 139315832) is 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc54)nc4cc(-c5ccc6c7cc(-n8c9ccccc9n9c%10ccccc%10nc89)ccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c6c5)ccc34)cc2)cc1.
What is the InChIKey of 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is LVSKLQLHHZCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N12/c1-3-19-51(20-4-1)52-35-37-54(38-36-52)80-62-44-40-55(47-68(62)86-82(90-80)93-69-28-12-8-23-59(69)63-49-57(41-45-70(63)93)91-74-31-15-17-33-76(74)95-72-29-13-10-26-66(72)87-83(91)95)56-39-43-60-64-50-58(92-75-32-16-18-34-77(75)96-73-30-14-11-27-67(73)88-84(92)96)42-46-71(64)94(78(60)48-56)81-85-65-25-9-7-24-61(65)79(89-81)53-21-5-2-6-22-53/h1-50H.
What are the key properties of 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole?
5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1227.41 g/mol, XLogP of 19.92, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139315832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).