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

C111H69N9OS — CID 161048106

IUPAC5-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)ccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)nc2ccccc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2ccccc12
InChIInChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)32-16-8-5-13-27(32)30-22-26(19-20-33(30)39)37-40-34-17-9-6-15-29(34)38(41-37)42-35-18-10-7-14-28(35)31-21-24-11-3-4-12-25(24)23-36(31)42;2*1-2-10-23-21-32-28(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-27-13-3-6-14-30(27)37-35(38-36)24-17-18-34-29(20-24)26-12-5-8-16-33(26)40-34/h3-23H,1-2H3;2*1-21H
InChIKeyUBTQKCSAONHWDH-UHFFFAOYSA-N
MW1576.90 g/mol
LogP29.21
Rot. Bonds6

About 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

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 (PubChem CID 161048106) has the molecular formula C111H69N9OS and a molecular weight of 1576.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID161048106
Molecular FormulaC111H69N9OS
Molecular Weight1576.90 g/mol
Exact Mass1575.53
IUPAC Name5-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)ccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)nc2ccccc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2ccccc12
InChIInChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)32-16-8-5-13-27(32)30-22-26(19-20-33(30)39)37-40-34-17-9-6-15-29(34)38(41-37)42-35-18-10-7-14-28(35)31-21-24-11-3-4-12-25(24)23-36(31)42;2*1-2-10-23-21-32-28(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-27-13-3-6-14-30(27)37-35(38-36)24-17-18-34-29(20-24)26-12-5-8-16-33(26)40-34/h3-23H,1-2H3;2*1-21H
InChIKeyUBTQKCSAONHWDH-UHFFFAOYSA-N
XLogP29.21
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.90
LogP ≤ 529.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
CID 159844636
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
5-(2-dibenzothiophen-3-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361804
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 158684626
5-(6-dibenzofuran-1-yl-2-dibenzothiophen-2-ylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327262
7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159689558
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
2-methyldibenzofuran;2-methyldibenzothiophene;3-methyl-9-phenylcarbazole;3,9,9-trimethylfluorene
CID 161458351
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159392904
6-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[2,3-c]quinoline;6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159380572
9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc4n3)ccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3oc4ccccc4c3c2)nc2ccccc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2ccccc12.
What is the InChIKey of 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?
The InChIKey is UBTQKCSAONHWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)32-16-8-5-13-27(32)30-22-26(19-20-33(30)39)37-40-34-17-9-6-15-29(34)38(41-37)42-35-18-10-7-14-28(35)31-21-24-11-3-4-12-25(24)23-36(31)42;2*1-2-10-23-21-32-28(19-22(23)9-1)25-11-4-7-15-31(25)39(32)36-27-13-3-6-14-30(27)37-35(38-36)24-17-18-34-29(20-24)26-12-5-8-16-33(26)40-34/h3-23H,1-2H3;2*1-21H.
What are the key properties of 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?
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 has a molecular weight of 1576.90 g/mol, XLogP of 29.21, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161048106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).