9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate

C168H100N6O10 — CID 158867046

IUPAC9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(OC(=O)C=C)cc6c5oc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)cc3c2c1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1.c1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C60H36N2O6.2C54H32N2O2/c1-3-58(63)65-40-23-27-56-49(32-40)47-30-36(21-25-55(47)67-56)35-20-24-54-46(29-35)44-16-7-10-19-53(44)61(54)38-13-11-12-37(28-38)45-33-41(66-59(64)4-2)34-50-48-31-39(22-26-57(48)68-60(45)50)62-51-17-8-5-14-42(51)43-15-6-9-18-52(43)62;1-6-24-46-37(16-1)38-17-2-7-25-47(38)55(46)35-31-44(53-45(32-35)41-20-5-10-29-51(41)57-53)34-15-11-14-33(30-34)36-21-12-22-42-43-23-13-28-50(54(43)58-52(36)42)56-48-26-8-3-18-39(48)40-19-4-9-27-49(40)56;1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h3-34H,1-2H2;2*1-32H
InChIKeyJBJGYAAHLJWNCS-UHFFFAOYSA-N
MW2362.68 g/mol
LogP45.22
Rot. Bonds16

About 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate

9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate (PubChem CID 158867046) has the molecular formula C168H100N6O10 and a molecular weight of 2362.68 g/mol. Its IUPAC name is 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate.

Molecular Properties

Compound Name9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate
PubChem CID158867046
Molecular FormulaC168H100N6O10
Molecular Weight2362.68 g/mol
Exact Mass2360.75
IUPAC Name9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(OC(=O)C=C)cc6c5oc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)cc3c2c1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1.c1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1
InChIInChI=1S/C60H36N2O6.2C54H32N2O2/c1-3-58(63)65-40-23-27-56-49(32-40)47-30-36(21-25-55(47)67-56)35-20-24-54-46(29-35)44-16-7-10-19-53(44)61(54)38-13-11-12-37(28-38)45-33-41(66-59(64)4-2)34-50-48-31-39(22-26-57(48)68-60(45)50)62-51-17-8-5-14-42(51)43-15-6-9-18-52(43)62;1-6-24-46-37(16-1)38-17-2-7-25-47(38)55(46)35-31-44(53-45(32-35)41-20-5-10-29-51(41)57-53)34-15-11-14-33(30-34)36-21-12-22-42-43-23-13-28-50(54(43)58-52(36)42)56-48-26-8-3-18-39(48)40-19-4-9-27-49(40)56;1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h3-34H,1-2H2;2*1-32H
InChIKeyJBJGYAAHLJWNCS-UHFFFAOYSA-N
XLogP45.22
TPSA161.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002362.68
LogP ≤ 545.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate?
The IUPAC name of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate (CID 158867046) is 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate.
What is the SMILES notation for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate?
The canonical SMILES for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate is C=CC(=O)Oc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc(OC(=O)C=C)cc6c5oc5ccc(-n7c8ccccc8c8ccccc87)cc56)c4)cc3c2c1.c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)cccc23)c1.c1cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c1.
What is the InChIKey of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate?
The InChIKey is JBJGYAAHLJWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O6.2C54H32N2O2/c1-3-58(63)65-40-23-27-56-49(32-40)47-30-36(21-25-55(47)67-56)35-20-24-54-46(29-35)44-16-7-10-19-53(44)61(54)38-13-11-12-37(28-38)45-33-41(66-59(64)4-2)34-50-48-31-39(22-26-57(48)68-60(45)50)62-51-17-8-5-14-42(51)43-15-6-9-18-52(43)62;1-6-24-46-37(16-1)38-17-2-7-25-47(38)55(46)35-31-44(53-45(32-35)41-20-5-10-29-51(41)57-53)34-15-11-14-33(30-34)36-21-12-22-42-43-23-13-28-50(54(43)58-52(36)42)56-48-26-8-3-18-39(48)40-19-4-9-27-49(40)56;1-5-22-47-39(14-1)40-15-2-6-23-48(40)56(47)36-27-29-52-46(32-36)44-21-11-18-37(54(44)58-52)33-12-9-13-35(30-33)55-49-24-7-3-16-41(49)45-31-34(26-28-50(45)55)38-19-10-20-43-42-17-4-8-25-51(42)57-53(38)43/h3-34H,1-2H2;2*1-32H.
What are the key properties of 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate?
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate has a molecular weight of 2362.68 g/mol, XLogP of 45.22, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;[8-[9-[3-(8-carbazol-9-yl-2-prop-2-enoyloxydibenzofuran-4-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl] prop-2-enoate is sourced from PubChem (CID 158867046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).