6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C60H33N5O2S — CID 176725980

IUPAC6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc3c2sc2cc4c5ccccc5n(-c5nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccccc6n5)c4cc23)cc1
InChIInChI=1S/C60H33N5O2S/c1-2-14-35(15-3-1)54-58-55(63-59(62-54)44-23-13-22-42-40-18-7-11-27-51(40)67-57(42)44)46-32-49-45(33-52(46)68-58)38-16-5-9-25-48(38)65(49)60-61-47-24-8-4-19-43(47)53(64-60)36-30-28-34(29-31-36)37-20-12-21-41-39-17-6-10-26-50(39)66-56(37)41/h1-33H
InChIKeyDBPJXRRCMGUILQ-UHFFFAOYSA-N
MW888.02 g/mol
LogP16.35
Rot. Bonds5

About 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 176725980) has the molecular formula C60H33N5O2S and a molecular weight of 888.02 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
PubChem CID176725980
Molecular FormulaC60H33N5O2S
Molecular Weight888.02 g/mol
Exact Mass887.24
IUPAC Name6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc3c2sc2cc4c5ccccc5n(-c5nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccccc6n5)c4cc23)cc1
InChIInChI=1S/C60H33N5O2S/c1-2-14-35(15-3-1)54-58-55(63-59(62-54)44-23-13-22-42-40-18-7-11-27-51(40)67-57(42)44)46-32-49-45(33-52(46)68-58)38-16-5-9-25-48(38)65(49)60-61-47-24-8-4-19-43(47)53(64-60)36-30-28-34(29-31-36)37-20-12-21-41-39-17-6-10-26-50(39)66-56(37)41/h1-33H
InChIKeyDBPJXRRCMGUILQ-UHFFFAOYSA-N
XLogP16.35
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.02
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

2,4-bis(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 134399270
2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159465675
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978299
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978761
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 163547300
4-(9-phenylcarbazol-2-yl)-2-[6-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170091957
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 176725980) is 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc3c2sc2cc4c5ccccc5n(-c5nc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccccc6n5)c4cc23)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The InChIKey is DBPJXRRCMGUILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N5O2S/c1-2-14-35(15-3-1)54-58-55(63-59(62-54)44-23-13-22-42-40-18-7-11-27-51(40)67-57(42)44)46-32-49-45(33-52(46)68-58)38-16-5-9-25-48(38)65(49)60-61-47-24-8-4-19-43(47)53(64-60)36-30-28-34(29-31-36)37-20-12-21-41-39-17-6-10-26-50(39)66-56(37)41/h1-33H.
What are the key properties of 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 888.02 g/mol, XLogP of 16.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-20-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-8-phenyl-10-thia-5,7,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 176725980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).