4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine

C77H44ClN5S4 — CID 157427800

IUPAC4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESClc1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12
InChIInChI=1S/C38H21N3S2.C22H11ClN2S2.C17H12/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-36-35(27-13-5-8-16-33(27)43-36)39-37(40-38)24-17-18-34-29(20-24)26-12-4-7-15-32(26)42-34;23-21-20-19(14-6-2-4-8-17(14)27-20)24-22(25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-21H;1-11H;1-9,11H,10H2
InChIKeyBQDZKAIDWULMOM-UHFFFAOYSA-N
MW1202.96 g/mol
LogP23.07
Rot. Bonds3

About 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine

4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157427800) has the molecular formula C77H44ClN5S4 and a molecular weight of 1202.96 g/mol. Its IUPAC name is 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID157427800
Molecular FormulaC77H44ClN5S4
Molecular Weight1202.96 g/mol
Exact Mass1201.22
IUPAC Name4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESClc1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12
InChIInChI=1S/C38H21N3S2.C22H11ClN2S2.C17H12/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-36-35(27-13-5-8-16-33(27)43-36)39-37(40-38)24-17-18-34-29(20-24)26-12-4-7-15-32(26)42-34;23-21-20-19(14-6-2-4-8-17(14)27-20)24-22(25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-21H;1-11H;1-9,11H,10H2
InChIKeyBQDZKAIDWULMOM-UHFFFAOYSA-N
XLogP23.07
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.96
LogP ≤ 523.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

4-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 137433879
3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 160676870
2-benzo[b]carbazol-5-yl-3-(4-isocyanophenyl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;2-chloro-3-(4-isocyanophenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 158438282
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118328170
4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 139551093
4-(1-phenylcarbazol-9-yl)-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118328150
11H-benzo[b]fluorene;2-(6-chloronaphtho[3,2-b][1]benzofuran-11-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;5-[11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 165069922
4-carbazol-9-yl-2-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232334
22-(15-naphtho[2,1-b][1]benzofuran-10-yl-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 126621770
11H-benzo[b]fluorene;2-(9-chloronaphtho[1,2-b][1]benzothiol-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;5-[6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzothiol-9-yl]benzo[b]carbazole
CID 163552451
2-phenyl-4-[3-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118374792
4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118232332

Frequently Asked Questions

What is the IUPAC name of 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 157427800) is 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine is Clc1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)nc2c1sc1ccccc12.
What is the InChIKey of 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is BQDZKAIDWULMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3S2.C22H11ClN2S2.C17H12/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-36-35(27-13-5-8-16-33(27)43-36)39-37(40-38)24-17-18-34-29(20-24)26-12-4-7-15-32(26)42-34;23-21-20-19(14-6-2-4-8-17(14)27-20)24-22(25-21)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-21H;1-11H;1-9,11H,10H2.
What are the key properties of 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine?
4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 1202.96 g/mol, XLogP of 23.07, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157427800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).