9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole

C61H39N3O — CID 67818598

IUPAC9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C61H39N3O/c1-5-18-40(19-6-1)45-36-50(42-22-9-3-10-23-42)59-53(38-45)54-39-46(41-20-7-2-8-21-41)37-51(60(54)65-59)43-32-33-57-52(35-43)49-28-13-15-30-56(49)63(57)48-27-17-24-44(34-48)61-62-55-29-14-16-31-58(55)64(61)47-25-11-4-12-26-47/h1-39H
InChIKeyHPAQQEBZDSAXIE-UHFFFAOYSA-N
MW830.00 g/mol
LogP16.36
Rot. Bonds7

About 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole

9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole (PubChem CID 67818598) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
PubChem CID67818598
Molecular FormulaC61H39N3O
Molecular Weight830.00 g/mol
Exact Mass829.31
IUPAC Name9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C61H39N3O/c1-5-18-40(19-6-1)45-36-50(42-22-9-3-10-23-42)59-53(38-45)54-39-46(41-20-7-2-8-21-41)37-51(60(54)65-59)43-32-33-57-52(35-43)49-28-13-15-30-56(49)63(57)48-27-17-24-44(34-48)61-62-55-29-14-16-31-58(55)64(61)47-25-11-4-12-26-47/h1-39H
InChIKeyHPAQQEBZDSAXIE-UHFFFAOYSA-N
XLogP16.36
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 67819112
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
9-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-2-yl]phenyl]-3-[3-(3-methylphenyl)phenyl]carbazole
CID 168837481
3,6-bis(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(6-phenyldibenzofuran-4-yl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(6-phenyldibenzofuran-4-yl)carbazole
CID 157355405

Frequently Asked Questions

What is the IUPAC name of 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole?
The IUPAC name of 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole (CID 67818598) is 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole?
The InChIKey is HPAQQEBZDSAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-5-18-40(19-6-1)45-36-50(42-22-9-3-10-23-42)59-53(38-45)54-39-46(41-20-7-2-8-21-41)37-51(60(54)65-59)43-32-33-57-52(35-43)49-28-13-15-30-56(49)63(57)48-27-17-24-44(34-48)61-62-55-29-14-16-31-58(55)64(61)47-25-11-4-12-26-47/h1-39H.
What are the key properties of 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole?
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole has a molecular weight of 830.00 g/mol, XLogP of 16.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 67818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).