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

C190H118N12S4 — CID 161068999

IUPAC6-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3cc(-c4cccc5c4sc4c(-c6ccccc6)nc(-c6ccccc6)nc45)ccc3c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1
InChIInChI=1S/C52H33N3S.C50H31N3S.2C44H27N3S/c1-4-16-34(17-5-1)38-30-39(35-18-6-2-7-19-35)32-40(31-38)48-51-49(54-52(53-48)36-20-8-3-9-21-36)45-27-15-26-42(50(45)56-51)37-22-14-23-41(33-37)55-46-28-12-10-24-43(46)44-25-11-13-29-47(44)55;1-4-13-32(14-5-1)37-26-28-45-43(31-37)41-19-10-11-22-44(41)53(45)39-27-25-35-29-38(24-23-36(35)30-39)40-20-12-21-42-47-49(54-48(40)42)46(33-15-6-2-7-16-33)51-50(52-47)34-17-8-3-9-18-34;1-2-14-29(15-3-1)44-45-40(36-23-11-16-28-13-4-5-19-32(28)36)43-41(46-44)37-24-12-22-33(42(37)48-43)30-17-10-18-31(27-30)47-38-25-8-6-20-34(38)35-21-7-9-26-39(35)47;1-2-13-29(14-3-1)44-45-40(32-25-24-28-12-4-5-15-30(28)26-32)43-41(46-44)37-21-11-20-34(42(37)48-43)31-16-10-17-33(27-31)47-38-22-8-6-18-35(38)36-19-7-9-23-39(36)47/h1-33H;1-31H;2*1-27H
InChIKeyUEKGNDACPDKHGD-UHFFFAOYSA-N
MW2697.39 g/mol
LogP52.23
Rot. Bonds19

About 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

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 (PubChem CID 161068999) has the molecular formula C190H118N12S4 and a molecular weight of 2697.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID161068999
Molecular FormulaC190H118N12S4
Molecular Weight2697.39 g/mol
Exact Mass2694.85
IUPAC Name6-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3cc(-c4cccc5c4sc4c(-c6ccccc6)nc(-c6ccccc6)nc45)ccc3c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1
InChIInChI=1S/C52H33N3S.C50H31N3S.2C44H27N3S/c1-4-16-34(17-5-1)38-30-39(35-18-6-2-7-19-35)32-40(31-38)48-51-49(54-52(53-48)36-20-8-3-9-21-36)45-27-15-26-42(50(45)56-51)37-22-14-23-41(33-37)55-46-28-12-10-24-43(46)44-25-11-13-29-47(44)55;1-4-13-32(14-5-1)37-26-28-45-43(31-37)41-19-10-11-22-44(41)53(45)39-27-25-35-29-38(24-23-36(35)30-39)40-20-12-21-42-47-49(54-48(40)42)46(33-15-6-2-7-16-33)51-50(52-47)34-17-8-3-9-18-34;1-2-14-29(15-3-1)44-45-40(36-23-11-16-28-13-4-5-19-32(28)36)43-41(46-44)37-24-12-22-33(42(37)48-43)30-17-10-18-31(27-30)47-38-25-8-6-20-34(38)35-21-7-9-26-39(35)47;1-2-13-29(14-3-1)44-45-40(32-25-24-28-12-4-5-15-30(28)26-32)43-41(46-44)37-21-11-20-34(42(37)48-43)31-16-10-17-33(27-31)47-38-22-8-6-18-35(38)36-19-7-9-23-39(36)47/h1-33H;1-31H;2*1-27H
InChIKeyUEKGNDACPDKHGD-UHFFFAOYSA-N
XLogP52.23
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002697.39
LogP ≤ 552.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
6-(6-carbazol-9-ylnaphthalen-2-yl)-2-phenyl-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142550998
2,4-diphenyl-6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550989
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
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
2-naphtho[1,2-b][1]benzothiol-10-yl-9-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
CID 163842912
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
2,4-diphenyl-8-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142550977
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc4c3sc3c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc34)c2)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3cc(-c4cccc5c4sc4c(-c6ccccc6)nc(-c6ccccc6)nc45)ccc3c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)c3sc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cccc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is UEKGNDACPDKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S.C50H31N3S.2C44H27N3S/c1-4-16-34(17-5-1)38-30-39(35-18-6-2-7-19-35)32-40(31-38)48-51-49(54-52(53-48)36-20-8-3-9-21-36)45-27-15-26-42(50(45)56-51)37-22-14-23-41(33-37)55-46-28-12-10-24-43(46)44-25-11-13-29-47(44)55;1-4-13-32(14-5-1)37-26-28-45-43(31-37)41-19-10-11-22-44(41)53(45)39-27-25-35-29-38(24-23-36(35)30-39)40-20-12-21-42-47-49(54-48(40)42)46(33-15-6-2-7-16-33)51-50(52-47)34-17-8-3-9-18-34;1-2-14-29(15-3-1)44-45-40(36-23-11-16-28-13-4-5-19-32(28)36)43-41(46-44)37-24-12-22-33(42(37)48-43)30-17-10-18-31(27-30)47-38-25-8-6-20-34(38)35-21-7-9-26-39(35)47;1-2-13-29(14-3-1)44-45-40(32-25-24-28-12-4-5-15-30(28)26-32)43-41(46-44)37-21-11-20-34(42(37)48-43)31-16-10-17-33(27-31)47-38-22-8-6-18-35(38)36-19-7-9-23-39(36)47/h1-33H;1-31H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 2697.39 g/mol, XLogP of 52.23, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161068999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).