9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C49H31N3O — CID 118149535

IUPAC9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3O/c1-2-10-37(11-3-1)52-46-16-8-6-14-43(46)50-49(52)34-20-18-32(19-21-34)35-24-28-45-41(30-35)39-12-4-7-15-44(39)51(45)38-26-22-33(23-27-38)36-25-29-48-42(31-36)40-13-5-9-17-47(40)53-48/h1-31H
InChIKeyZGKSGHIZOJOHKI-UHFFFAOYSA-N
MW677.81 g/mol
LogP13.02
Rot. Bonds5

About 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 118149535) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID118149535
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3O/c1-2-10-37(11-3-1)52-46-16-8-6-14-43(46)50-49(52)34-20-18-32(19-21-34)35-24-28-45-41(30-35)39-12-4-7-15-44(39)51(45)38-26-22-33(23-27-38)36-25-29-48-42(31-36)40-13-5-9-17-47(40)53-48/h1-31H
InChIKeyZGKSGHIZOJOHKI-UHFFFAOYSA-N
XLogP13.02
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
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
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
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
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
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
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 118149535) is 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is ZGKSGHIZOJOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-10-37(11-3-1)52-46-16-8-6-14-43(46)50-49(52)34-20-18-32(19-21-34)35-24-28-45-41(30-35)39-12-4-7-15-44(39)51(45)38-26-22-33(23-27-38)36-25-29-48-42(31-36)40-13-5-9-17-47(40)53-48/h1-31H.
What are the key properties of 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 677.81 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118149535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).