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

C141H88N10OS — CID 161267924

IUPAC5-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc5ccccc45)cc32)c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C51H33N3O.C48H30N4.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)50-52-44-20-9-6-16-38(44)48(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-49(37)39;1-3-13-31(14-4-1)34-24-26-44-40(28-34)41-27-32-15-7-8-16-33(32)29-46(41)52(44)48-49-42-21-11-9-20-39(42)47(50-48)35-23-25-38-37-19-10-12-22-43(37)51(45(38)30-35)36-17-5-2-6-18-36;1-2-12-26(13-3-1)29-18-11-22-36-39(29)34-24-27-14-4-5-15-28(27)25-37(34)45(36)42-43-35-21-8-6-17-32(35)40(44-42)33-20-10-19-31-30-16-7-9-23-38(30)46-41(31)33/h3-29H,1-2H3;1-30H;1-25H/i;2D,5D,6D,17D,18D;
InChIKeyVDKVSRKUIJEXAD-DAXZSBGVSA-N
MW1975.42 g/mol
LogP37.31
Rot. Bonds10

About 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

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 (PubChem CID 161267924) has the molecular formula C141H88N10OS and a molecular weight of 1975.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID161267924
Molecular FormulaC141H88N10OS
Molecular Weight1975.42 g/mol
Exact Mass1973.72
IUPAC Name5-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc5ccccc45)cc32)c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C51H33N3O.C48H30N4.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)50-52-44-20-9-6-16-38(44)48(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-49(37)39;1-3-13-31(14-4-1)34-24-26-44-40(28-34)41-27-32-15-7-8-16-33(32)29-46(41)52(44)48-49-42-21-11-9-20-39(42)47(50-48)35-23-25-38-37-19-10-12-22-43(37)51(45(38)30-35)36-17-5-2-6-18-36;1-2-12-26(13-3-1)29-18-11-22-36-39(29)34-24-27-14-4-5-15-28(27)25-37(34)45(36)42-43-35-21-8-6-17-32(35)40(44-42)33-20-10-19-31-30-16-7-9-23-38(30)46-41(31)33/h3-29H,1-2H3;1-30H;1-25H/i;2D,5D,6D,17D,18D;
InChIKeyVDKVSRKUIJEXAD-DAXZSBGVSA-N
XLogP37.31
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001975.42
LogP ≤ 537.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
11-(4-dibenzofuran-2-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-2-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;5-(9-phenylcarbazol-2-yl)-11-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[a]carbazole
CID 159284497
7-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[c]carbazole;3-(3-phenylphenyl)-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158126193
3-dibenzofuran-2-yl-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole;3-dibenzothiophen-2-yl-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 158788223
2-chloro-4-dibenzofuran-2-ylquinazoline;2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-4-dibenzothiophen-2-ylquinazoline;2-chloro-4-(9,9-dimethylfluoren-2-yl)quinazoline;2-(2-chloroquinazolin-4-yl)-9-phenylcarbazole;3-(2-chloroquinazolin-4-yl)-9-phenylcarbazole
CID 158105199
5-(7-dibenzofuran-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-4-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-phenyl-7-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[b]carbazole
CID 161482965
2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 159091698
2-dibenzothiophen-4-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 131979694
11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole
CID 158443759
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cc21.[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-c7ccccc7)cc6c6cc7ccccc7cc65)nc5ccccc45)cc32)c([2H])c1[2H].c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2nc(-c3cccc4c3sc3ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 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?
The InChIKey is VDKVSRKUIJEXAD-DAXZSBGVSA-N. The full InChI is InChI=1S/C51H33N3O.C48H30N4.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)50-52-44-20-9-6-16-38(44)48(53-50)39-18-11-17-37-36-15-7-10-21-47(36)55-49(37)39;1-3-13-31(14-4-1)34-24-26-44-40(28-34)41-27-32-15-7-8-16-33(32)29-46(41)52(44)48-49-42-21-11-9-20-39(42)47(50-48)35-23-25-38-37-19-10-12-22-43(37)51(45(38)30-35)36-17-5-2-6-18-36;1-2-12-26(13-3-1)29-18-11-22-36-39(29)34-24-27-14-4-5-15-28(27)25-37(34)45(36)42-43-35-21-8-6-17-32(35)40(44-42)33-20-10-19-31-30-16-7-9-23-38(30)46-41(31)33/h3-29H,1-2H3;1-30H;1-25H/i;2D,5D,6D,17D,18D;.
What are the key properties of 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?
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 has a molecular weight of 1975.42 g/mol, XLogP of 37.31, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161267924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).