5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole

C142H91N9OS — CID 159895032

IUPAC5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc6ccccc6cc54)c4ccccc4n3)c21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3O.C49H33N3.C42H25N3S/c1-51(2)42-19-8-5-14-34(42)35-24-22-33(28-43(35)51)32-23-25-45-40(27-32)41-26-30-12-3-4-13-31(30)29-46(41)54(45)50-38-16-6-9-20-44(38)52-49(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-48(37)39;1-49(2)42-20-9-7-16-36(42)37-18-11-19-39(46(37)49)47-50-43-21-10-8-17-38(43)48(51-47)52-44-25-24-35(34-23-22-30-12-3-4-13-31(30)26-34)28-40(44)41-27-32-14-5-6-15-33(32)29-45(41)52;1-2-11-26(12-3-1)29-21-22-37-34(24-29)35-23-27-13-4-5-14-28(27)25-38(35)45(37)42-32-16-6-8-19-36(32)43-41(44-42)33-18-10-17-31-30-15-7-9-20-39(30)46-40(31)33/h3-29H,1-2H3;3-29H,1-2H3;1-25H
InChIKeyNVFSCXYGWINSQM-UHFFFAOYSA-N
MW1971.42 g/mol
LogP37.68
Rot. Bonds9

About 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole

5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole (PubChem CID 159895032) has the molecular formula C142H91N9OS and a molecular weight of 1971.42 g/mol. Its IUPAC name is 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole
PubChem CID159895032
Molecular FormulaC142H91N9OS
Molecular Weight1971.42 g/mol
Exact Mass1969.71
IUPAC Name5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc6ccccc6cc54)c4ccccc4n3)c21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3O.C49H33N3.C42H25N3S/c1-51(2)42-19-8-5-14-34(42)35-24-22-33(28-43(35)51)32-23-25-45-40(27-32)41-26-30-12-3-4-13-31(30)29-46(41)54(45)50-38-16-6-9-20-44(38)52-49(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-48(37)39;1-49(2)42-20-9-7-16-36(42)37-18-11-19-39(46(37)49)47-50-43-21-10-8-17-38(43)48(51-47)52-44-25-24-35(34-23-22-30-12-3-4-13-31(30)26-34)28-40(44)41-27-32-14-5-6-15-33(32)29-45(41)52;1-2-11-26(12-3-1)29-21-22-37-34(24-29)35-23-27-13-4-5-14-28(27)25-38(35)45(37)42-32-16-6-8-19-36(32)43-41(44-42)33-18-10-17-31-30-15-7-9-20-39(30)46-40(31)33/h3-29H,1-2H3;3-29H,1-2H3;1-25H
InChIKeyNVFSCXYGWINSQM-UHFFFAOYSA-N
XLogP37.68
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.42
LogP ≤ 537.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[4-[3-dibenzofuran-4-yl-2-[2-[9-[4-[3-dibenzothiophen-4-yl-2-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenanthren-3-yl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]phenyl]-5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole
CID 146539999
3-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-[4-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]carbazole;5-[4-dibenzofuran-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-dibenzothiophen-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;1,2-diphenyl-5-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 159852810
dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;2,2-dimethylpentane;9,9-dimethyl-1-phenylfluorene;decakis(2,2-dimethylpropane);bis(9-phenylcarbazole);4-phenyldibenzofuran;4-phenyldibenzothiophene;bis(1-phenylnaphthalene);2-phenylnaphthalene
CID 159548158
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
5-(4-dibenzofuran-4-ylquinazolin-2-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-4-ylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;5-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]quinazolin-2-yl]-2-phenylbenzo[b]carbazole
CID 161267924
9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
CID 161193830
5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 163717305
2-[3-dibenzofuran-2-yl-5-[6-[7-[3-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-yl]dibenzofuran-2-yl]phenyl]-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167197027
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-4-dibenzothiophen-4-ylquinazoline;2-chloro-4-(9,9-dimethylfluoren-2-yl)quinazoline;9-(2-chloroquinazolin-4-yl)carbazole;9-[4-(2-chloroquinazolin-4-yl)phenyl]carbazole
CID 159987595
5-(6-dibenzofuran-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-dibenzofuran-4-yl-3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(6-dibenzothiophen-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole
CID 161274836
9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
CID 126537282

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole (CID 159895032) is 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc6ccccc6cc54)c4ccccc4n3)c21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole?
The InChIKey is NVFSCXYGWINSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O.C49H33N3.C42H25N3S/c1-51(2)42-19-8-5-14-34(42)35-24-22-33(28-43(35)51)32-23-25-45-40(27-32)41-26-30-12-3-4-13-31(30)29-46(41)54(45)50-38-16-6-9-20-44(38)52-49(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-48(37)39;1-49(2)42-20-9-7-16-36(42)37-18-11-19-39(46(37)49)47-50-43-21-10-8-17-38(43)48(51-47)52-44-25-24-35(34-23-22-30-12-3-4-13-31(30)26-34)28-40(44)41-27-32-14-5-6-15-33(32)29-45(41)52;1-2-11-26(12-3-1)29-21-22-37-34(24-29)35-23-27-13-4-5-14-28(27)25-38(35)45(37)42-32-16-6-8-19-36(32)43-41(44-42)33-18-10-17-31-30-15-7-9-20-39(30)46-40(31)33/h3-29H,1-2H3;3-29H,1-2H3;1-25H.
What are the key properties of 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole?
5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole has a molecular weight of 1971.42 g/mol, XLogP of 37.68, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;5-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]-2-naphthalen-2-ylbenzo[b]carbazole is sourced from PubChem (CID 159895032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).