4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine

C144H86N8O2S4 — CID 160619996

IUPAC4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7c6oc6ccccc67)c6sc7ccccc7c6n5)c4)c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5oc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5sc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2OS.C46H27N3OS.C46H27N3S2/c1-3-14-33(15-4-1)39-30-40(34-16-5-2-6-17-34)32-41(31-39)37-20-11-18-35(28-37)36-19-12-21-38(29-36)52-53-48-44-23-8-10-27-47(44)56-51(48)49(54-52)45-25-13-24-43-42-22-7-9-26-46(42)55-50(43)45;2*1-3-13-28(14-4-1)29-25-26-37-36(27-29)41-34(20-12-22-38(41)49(37)30-15-5-2-6-16-30)46-47-42-33-18-8-10-24-40(33)51-45(42)43(48-46)35-21-11-19-32-31-17-7-9-23-39(31)50-44(32)35/h1-32H;2*1-27H
InChIKeyRGOVIBYXJODKFQ-UHFFFAOYSA-N
MW2088.59 g/mol
LogP40.90
Rot. Bonds14

About 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine

4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 160619996) has the molecular formula C144H86N8O2S4 and a molecular weight of 2088.59 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID160619996
Molecular FormulaC144H86N8O2S4
Molecular Weight2088.59 g/mol
Exact Mass2086.58
IUPAC Name4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7c6oc6ccccc67)c6sc7ccccc7c6n5)c4)c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5oc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5sc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H32N2OS.C46H27N3OS.C46H27N3S2/c1-3-14-33(15-4-1)39-30-40(34-16-5-2-6-17-34)32-41(31-39)37-20-11-18-35(28-37)36-19-12-21-38(29-36)52-53-48-44-23-8-10-27-47(44)56-51(48)49(54-52)45-25-13-24-43-42-22-7-9-26-46(42)55-50(43)45;2*1-3-13-28(14-4-1)29-25-26-37-36(27-29)41-34(20-12-22-38(41)49(37)30-15-5-2-6-16-30)46-47-42-33-18-8-10-24-40(33)51-45(42)43(48-46)35-21-11-19-32-31-17-7-9-23-39(31)50-44(32)35/h1-32H;2*1-27H
InChIKeyRGOVIBYXJODKFQ-UHFFFAOYSA-N
XLogP40.90
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.59
LogP ≤ 540.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine 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

4-dibenzofuran-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-3-yl)-9-phenylpyrimido[4,5-b]indole;4-dibenzothiophen-4-yl-9-phenyl-2-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
CID 159635369
4-(6,9-diphenylcarbazol-4-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118232328
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158955259
4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158095257
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158148517
4-phenyl-2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153309495
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;9-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 158185166
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159320178
4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157410636

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine (CID 160619996) is 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6cccc7c6oc6ccccc67)c6sc7ccccc7c6n5)c4)c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5oc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2c(-c4nc(-c5cccc6c5sc5ccccc56)c5sc6ccccc6c5n4)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is RGOVIBYXJODKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS.C46H27N3OS.C46H27N3S2/c1-3-14-33(15-4-1)39-30-40(34-16-5-2-6-17-34)32-41(31-39)37-20-11-18-35(28-37)36-19-12-21-38(29-36)52-53-48-44-23-8-10-27-47(44)56-51(48)49(54-52)45-25-13-24-43-42-22-7-9-26-46(42)55-50(43)45;2*1-3-13-28(14-4-1)29-25-26-37-36(27-29)41-34(20-12-22-38(41)49(37)30-15-5-2-6-16-30)46-47-42-33-18-8-10-24-40(33)51-45(42)43(48-46)35-21-11-19-32-31-17-7-9-23-39(31)50-44(32)35/h1-32H;2*1-27H.
What are the key properties of 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine?
4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2088.59 g/mol, XLogP of 40.90, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzothiophen-4-yl-2-(6,9-diphenylcarbazol-4-yl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 160619996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).