6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C150H95N9S3 — CID 161228080

IUPAC6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c(-c5ccccc5)nc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc4c3n2)cc1
InChIInChI=1S/2C52H33N3S.C46H29N3S/c1-5-16-34(17-6-1)38-28-29-47-45(33-38)43-24-13-14-27-46(43)55(47)41-31-39(35-18-7-2-8-19-35)30-40(32-41)42-25-15-26-44-49-51(56-50(42)44)48(36-20-9-3-10-21-36)53-52(54-49)37-22-11-4-12-23-37;1-3-15-34(16-4-1)36-19-12-23-40(32-36)48-51-49(54-52(53-48)35-17-5-2-6-18-35)45-28-14-27-42(50(45)56-51)39-22-11-20-37(31-39)38-21-13-24-41(33-38)55-46-29-9-7-25-43(46)44-26-8-10-30-47(44)55;1-3-14-30(15-4-1)42-45-43(48-46(47-42)31-16-5-2-6-17-31)39-25-13-24-36(44(39)50-45)34-20-11-18-32(28-34)33-19-12-21-35(29-33)49-40-26-9-7-22-37(40)38-23-8-10-27-41(38)49/h2*1-33H;1-29H
InChIKeyUYJQLRXQXFSAFG-UHFFFAOYSA-N
MW2119.67 g/mol
LogP41.16
Rot. Bonds17

About 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 161228080) has the molecular formula C150H95N9S3 and a molecular weight of 2119.67 g/mol. Its IUPAC name is 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID161228080
Molecular FormulaC150H95N9S3
Molecular Weight2119.67 g/mol
Exact Mass2117.69
IUPAC Name6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c(-c5ccccc5)nc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc4c3n2)cc1
InChIInChI=1S/2C52H33N3S.C46H29N3S/c1-5-16-34(17-6-1)38-28-29-47-45(33-38)43-24-13-14-27-46(43)55(47)41-31-39(35-18-7-2-8-19-35)30-40(32-41)42-25-15-26-44-49-51(56-50(42)44)48(36-20-9-3-10-21-36)53-52(54-49)37-22-11-4-12-23-37;1-3-15-34(16-4-1)36-19-12-23-40(32-36)48-51-49(54-52(53-48)35-17-5-2-6-18-35)45-28-14-27-42(50(45)56-51)39-22-11-20-37(31-39)38-21-13-24-41(33-38)55-46-29-9-7-25-43(46)44-26-8-10-30-47(44)55;1-3-14-30(15-4-1)42-45-43(48-46(47-42)31-16-5-2-6-17-31)39-25-13-24-36(44(39)50-45)34-20-11-18-32(28-34)33-19-12-21-35(29-33)49-40-26-9-7-22-37(40)38-23-8-10-27-41(38)49/h2*1-33H;1-29H
InChIKeyUYJQLRXQXFSAFG-UHFFFAOYSA-N
XLogP41.16
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002119.67
LogP ≤ 541.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

6-(3-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-(3-carbazol-9-ylphenyl)-4-naphthalen-2-yl-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[6-(3-phenylcarbazol-9-yl)naphthalen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 161068999
2,4-diphenyl-6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550989
6-(6-carbazol-9-ylnaphthalen-2-yl)-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142550998
2-phenyl-6-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142551363
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-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163783705
4-phenyl-2-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154626603
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
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
2-(3-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 144884626
2,4-diphenyl-8-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550977
10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 161228080) is 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2cc(-c3cccc4c3sc3c(-c5ccccc5)nc(-c5ccccc5)nc34)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3sc4c(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cccc4c3n2)cc1.
What is the InChIKey of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is UYJQLRXQXFSAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N3S.C46H29N3S/c1-5-16-34(17-6-1)38-28-29-47-45(33-38)43-24-13-14-27-46(43)55(47)41-31-39(35-18-7-2-8-19-35)30-40(32-41)42-25-15-26-44-49-51(56-50(42)44)48(36-20-9-3-10-21-36)53-52(54-49)37-22-11-4-12-23-37;1-3-15-34(16-4-1)36-19-12-23-40(32-36)48-51-49(54-52(53-48)35-17-5-2-6-18-35)45-28-14-27-42(50(45)56-51)39-22-11-20-37(31-39)38-21-13-24-41(33-38)55-46-29-9-7-25-43(46)44-26-8-10-30-47(44)55;1-3-14-30(15-4-1)42-45-43(48-46(47-42)31-16-5-2-6-17-31)39-25-13-24-36(44(39)50-45)34-20-11-18-32(28-34)33-19-12-21-35(29-33)49-40-26-9-7-22-37(40)38-23-8-10-27-41(38)49/h2*1-33H;1-29H.
What are the key properties of 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2119.67 g/mol, XLogP of 41.16, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 161228080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).