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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole

C137H85N11OS — CID 158492978

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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4ccc5cccnc5c4)nc3)nc3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3O.C44H27N5.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;1-2-9-28(10-3-1)32-19-21-41-36(24-32)37-23-30-11-4-5-12-31(30)26-42(37)49(41)44-35-14-6-7-15-39(35)47-43(48-44)34-18-20-38(46-27-34)33-17-16-29-13-8-22-45-40(29)25-33;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;1-27H;1-25H
InChIKeyHIXSUBBDUPIAOK-UHFFFAOYSA-N
MW1933.33 g/mol
LogP35.83
Rot. Bonds10

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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 158492978) has the molecular formula C137H85N11OS and a molecular weight of 1933.33 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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID158492978
Molecular FormulaC137H85N11OS
Molecular Weight1933.33 g/mol
Exact Mass1931.67
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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4ccc5cccnc5c4)nc3)nc3ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3O.C44H27N5.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;1-2-9-28(10-3-1)32-19-21-41-36(24-32)37-23-30-11-4-5-12-31(30)26-42(37)49(41)44-35-14-6-7-15-39(35)47-43(48-44)34-18-20-38(46-27-34)33-17-16-29-13-8-22-45-40(29)25-33;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;1-27H;1-25H
InChIKeyHIXSUBBDUPIAOK-UHFFFAOYSA-N
XLogP35.83
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001933.33
LogP ≤ 535.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole with MolForge

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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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole (CID 158492978) 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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc4ccccc34)cc21.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc(-c3ccc(-c4ccc5cccnc5c4)nc3)nc3ccccc23)cc1.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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is HIXSUBBDUPIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O.C44H27N5.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;1-2-9-28(10-3-1)32-19-21-41-36(24-32)37-23-30-11-4-5-12-31(30)26-42(37)49(41)44-35-14-6-7-15-39(35)47-43(48-44)34-18-20-38(46-27-34)33-17-16-29-13-8-22-45-40(29)25-33;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;1-27H;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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 1933.33 g/mol, XLogP of 35.83, 10 rotatable bonds, 0 hydrogen bond donors, and 13 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;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 158492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).