5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole

C159H100N10OS — CID 160800413

IUPAC5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc(-c4ccc5c(c4)oc4ccccc45)c4ccc(-c5ccccc5)cc4n3)cc21.c1ccc(-c2ccc3c(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1
InChIInChI=1S/C57H37N3O.C54H34N4.C48H29N3S/c1-57(2)47-20-10-8-17-41(47)42-26-24-38(30-48(42)57)40-19-12-21-50-54(40)46-29-35-15-6-7-16-36(35)32-51(46)60(50)56-58-49-31-37(34-13-4-3-5-14-34)23-28-45(49)55(59-56)39-25-27-44-43-18-9-11-22-52(43)61-53(44)33-39;1-4-15-35(16-5-1)39-27-30-45-47(32-39)55-54(56-53(45)40-28-29-44-43-23-12-13-25-48(43)57(50(44)34-40)41-21-8-3-9-22-41)58-49-26-14-24-42(36-17-6-2-7-18-36)52(49)46-31-37-19-10-11-20-38(37)33-51(46)58;1-3-12-30(13-4-1)34-22-25-39-41(27-34)49-48(50-47(39)35-23-24-38-37-18-9-10-21-44(37)52-45(38)29-35)51-42-20-11-19-36(31-14-5-2-6-15-31)46(42)40-26-32-16-7-8-17-33(32)28-43(40)51/h3-33H,1-2H3;1-34H;1-29H
InChIKeySCZPOGFVQDQVBE-UHFFFAOYSA-N
MW2198.68 g/mol
LogP42.31
Rot. Bonds13

About 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole

5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 160800413) has the molecular formula C159H100N10OS and a molecular weight of 2198.68 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID160800413
Molecular FormulaC159H100N10OS
Molecular Weight2198.68 g/mol
Exact Mass2196.78
IUPAC Name5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc(-c4ccc5c(c4)oc4ccccc45)c4ccc(-c5ccccc5)cc4n3)cc21.c1ccc(-c2ccc3c(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1
InChIInChI=1S/C57H37N3O.C54H34N4.C48H29N3S/c1-57(2)47-20-10-8-17-41(47)42-26-24-38(30-48(42)57)40-19-12-21-50-54(40)46-29-35-15-6-7-16-36(35)32-51(46)60(50)56-58-49-31-37(34-13-4-3-5-14-34)23-28-45(49)55(59-56)39-25-27-44-43-18-9-11-22-52(43)61-53(44)33-39;1-4-15-35(16-5-1)39-27-30-45-47(32-39)55-54(56-53(45)40-28-29-44-43-23-12-13-25-48(43)57(50(44)34-40)41-21-8-3-9-22-41)58-49-26-14-24-42(36-17-6-2-7-18-36)52(49)46-31-37-19-10-11-20-38(37)33-51(46)58;1-3-12-30(13-4-1)34-22-25-39-41(27-34)49-48(50-47(39)35-23-24-38-37-18-9-10-21-44(37)52-45(38)29-35)51-42-20-11-19-36(31-14-5-2-6-15-31)46(42)40-26-32-16-7-8-17-33(32)28-43(40)51/h3-33H,1-2H3;1-34H;1-29H
InChIKeySCZPOGFVQDQVBE-UHFFFAOYSA-N
XLogP42.31
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.68
LogP ≤ 542.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole (CID 160800413) is 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc(-c4ccc5c(c4)oc4ccccc45)c4ccc(-c5ccccc5)cc4n3)cc21.c1ccc(-c2ccc3c(-c4ccc5c(c4)sc4ccccc45)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-n4c5cc6ccccc6cc5c5c(-c6ccccc6)cccc54)nc3c2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is SCZPOGFVQDQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O.C54H34N4.C48H29N3S/c1-57(2)47-20-10-8-17-41(47)42-26-24-38(30-48(42)57)40-19-12-21-50-54(40)46-29-35-15-6-7-16-36(35)32-51(46)60(50)56-58-49-31-37(34-13-4-3-5-14-34)23-28-45(49)55(59-56)39-25-27-44-43-18-9-11-22-52(43)61-53(44)33-39;1-4-15-35(16-5-1)39-27-30-45-47(32-39)55-54(56-53(45)40-28-29-44-43-23-12-13-25-48(43)57(50(44)34-40)41-21-8-3-9-22-41)58-49-26-14-24-42(36-17-6-2-7-18-36)52(49)46-31-37-19-10-11-20-38(37)33-51(46)58;1-3-12-30(13-4-1)34-22-25-39-41(27-34)49-48(50-47(39)35-23-24-38-37-18-9-10-21-44(37)52-45(38)29-35)51-42-20-11-19-36(31-14-5-2-6-15-31)46(42)40-26-32-16-7-8-17-33(32)28-43(40)51/h3-33H,1-2H3;1-34H;1-29H.
What are the key properties of 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 2198.68 g/mol, XLogP of 42.31, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 160800413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).