11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole

C62H38N4O — CID 139407523

IUPAC11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(-c8ccc9oc%10ccccc%10c9c8)c8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)ccc32)cc1
InChIInChI=1S/C62H38N4O/c1-3-15-42(16-4-1)63-52-22-10-8-20-46(52)50-38-44(30-33-55(50)63)64-53-23-11-7-19-45(53)49-35-39(28-32-54(49)64)40-27-31-48-58(37-40)66-57-25-13-12-24-56(57)65(43-17-5-2-6-18-43)62(66)61(48)41-29-34-60-51(36-41)47-21-9-14-26-59(47)67-60/h1-38H
InChIKeyCAJBJYZOVQARIT-UHFFFAOYSA-N
MW855.01 g/mol
LogP16.46
Rot. Bonds5

About 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole

11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole (PubChem CID 139407523) has the molecular formula C62H38N4O and a molecular weight of 855.01 g/mol. Its IUPAC name is 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
PubChem CID139407523
Molecular FormulaC62H38N4O
Molecular Weight855.01 g/mol
Exact Mass854.30
IUPAC Name11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(-c8ccc9oc%10ccccc%10c9c8)c8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)ccc32)cc1
InChIInChI=1S/C62H38N4O/c1-3-15-42(16-4-1)63-52-22-10-8-20-46(52)50-38-44(30-33-55(50)63)64-53-23-11-7-19-45(53)49-35-39(28-32-54(49)64)40-27-31-48-58(37-40)66-57-25-13-12-24-56(57)65(43-17-5-2-6-18-43)62(66)61(48)41-29-34-60-51(36-41)47-21-9-14-26-59(47)67-60/h1-38H
InChIKeyCAJBJYZOVQARIT-UHFFFAOYSA-N
XLogP16.46
TPSA32.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.01
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole
CID 162265555
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The IUPAC name of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole (CID 139407523) is 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The canonical SMILES for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(-c8ccc9oc%10ccccc%10c9c8)c8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)ccc32)cc1.
What is the InChIKey of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
The InChIKey is CAJBJYZOVQARIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O/c1-3-15-42(16-4-1)63-52-22-10-8-20-46(52)50-38-44(30-33-55(50)63)64-53-23-11-7-19-45(53)49-35-39(28-32-54(49)64)40-27-31-48-58(37-40)66-57-25-13-12-24-56(57)65(43-17-5-2-6-18-43)62(66)61(48)41-29-34-60-51(36-41)47-21-9-14-26-59(47)67-60/h1-38H.
What are the key properties of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole?
11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole has a molecular weight of 855.01 g/mol, XLogP of 16.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).