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

C153H97N9O3 — CID 158600423

IUPAC2,7-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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)c3c2)cc1
InChIInChI=1S/C55H35N3O.2C49H31N3O/c1-4-13-36(14-5-1)40-27-30-45-46-31-28-41(37-15-6-2-7-16-37)34-51(46)57(50(45)33-40)43-29-32-47-53(35-43)59-52-22-12-19-44(54(47)52)38-23-25-39(26-24-38)55-56-48-20-10-11-21-49(48)58(55)42-17-8-3-9-18-42;1-3-12-32(13-4-1)35-24-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-25-36(26-23-33)52-45-20-10-8-18-42(45)50-49(52)34-14-5-2-6-15-34;1-3-12-32(13-4-1)35-26-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-24-34(25-23-33)49-50-42-18-8-10-20-45(42)52(49)36-14-5-2-6-15-36/h1-35H;2*1-31H
InChIKeyHVOIOPOFRCTJKN-UHFFFAOYSA-N
MW2109.52 g/mol
LogP40.74
Rot. Bonds16

About 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

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 (PubChem CID 158600423) has the molecular formula C153H97N9O3 and a molecular weight of 2109.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-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
PubChem CID158600423
Molecular FormulaC153H97N9O3
Molecular Weight2109.52 g/mol
Exact Mass2107.77
IUPAC Name2,7-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
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)c3c2)cc1
InChIInChI=1S/C55H35N3O.2C49H31N3O/c1-4-13-36(14-5-1)40-27-30-45-46-31-28-41(37-15-6-2-7-16-37)34-51(46)57(50(45)33-40)43-29-32-47-53(35-43)59-52-22-12-19-44(54(47)52)38-23-25-39(26-24-38)55-56-48-20-10-11-21-49(48)58(55)42-17-8-3-9-18-42;1-3-12-32(13-4-1)35-24-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-25-36(26-23-33)52-45-20-10-8-18-42(45)50-49(52)34-14-5-2-6-15-34;1-3-12-32(13-4-1)35-26-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-24-34(25-23-33)49-50-42-18-8-10-20-45(42)52(49)36-14-5-2-6-15-36/h1-35H;2*1-31H
InChIKeyHVOIOPOFRCTJKN-UHFFFAOYSA-N
XLogP40.74
TPSA107.67 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002109.52
LogP ≤ 540.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c23)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is HVOIOPOFRCTJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O.2C49H31N3O/c1-4-13-36(14-5-1)40-27-30-45-46-31-28-41(37-15-6-2-7-16-37)34-51(46)57(50(45)33-40)43-29-32-47-53(35-43)59-52-22-12-19-44(54(47)52)38-23-25-39(26-24-38)55-56-48-20-10-11-21-49(48)58(55)42-17-8-3-9-18-42;1-3-12-32(13-4-1)35-24-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-25-36(26-23-33)52-45-20-10-8-18-42(45)50-49(52)34-14-5-2-6-15-34;1-3-12-32(13-4-1)35-26-29-44-41(30-35)39-16-7-9-19-43(39)51(44)37-27-28-40-47(31-37)53-46-21-11-17-38(48(40)46)33-22-24-34(25-23-33)49-50-42-18-8-10-20-45(42)52(49)36-14-5-2-6-15-36/h1-35H;2*1-31H.
What are the key properties of 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?
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 has a molecular weight of 2109.52 g/mol, XLogP of 40.74, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158600423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).