2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine

C38H23N3OS — CID 137433804

IUPAC2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3C1=NC(c2ccc3c(c2)sc2ccccc23)c2c(oc3ccccc23)N1
InChIInChI=1S/C38H23N3OS/c1-2-10-23-20-31-29(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-39-36(35-28-13-4-7-15-32(28)42-37(35)40-38)24-17-18-27-26-12-5-8-16-33(26)43-34(27)21-24/h1-21,36H,(H,39,40)
InChIKeySFYVGNDFKUTZEJ-UHFFFAOYSA-N
MW569.69 g/mol
LogP10.48
Rot. Bonds1

About 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine

2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 137433804) has the molecular formula C38H23N3OS and a molecular weight of 569.69 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine
PubChem CID137433804
Molecular FormulaC38H23N3OS
Molecular Weight569.69 g/mol
Exact Mass569.16
IUPAC Name2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3C1=NC(c2ccc3c(c2)sc2ccccc23)c2c(oc3ccccc23)N1
InChIInChI=1S/C38H23N3OS/c1-2-10-23-20-31-29(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-39-36(35-28-13-4-7-15-32(28)42-37(35)40-38)24-17-18-27-26-12-5-8-16-33(26)43-34(27)21-24/h1-21,36H,(H,39,40)
InChIKeySFYVGNDFKUTZEJ-UHFFFAOYSA-N
XLogP10.48
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 166867482
2-benzo[b]carbazol-5-yl-4-(4-phenylphenyl)-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 166945382
12-(4-naphtho[1,2-b][1]benzofuran-8-yl-1,4-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 156564240
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326
5-[6-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)naphtho[3,2-b][1]benzofuran-11-yl]benzo[b]carbazole
CID 166699122
5-(2-dibenzothiophen-3-yl-1,9,9-trimethyl-2H-indeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
CID 166945412
5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole
CID 146181652
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347914
5-[4-(4-dibenzothiophen-3-yl-5-ethyl-6-phenyl-4,5-dihydropyrimidin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166698966
2-(4-benzo[b]carbazol-5-ylphenyl)-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 146392014

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine (CID 137433804) is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine is c1ccc2cc3c(cc2c1)c1ccccc1n3C1=NC(c2ccc3c(c2)sc2ccccc23)c2c(oc3ccccc23)N1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is SFYVGNDFKUTZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3OS/c1-2-10-23-20-31-29(19-22(23)9-1)25-11-3-6-14-30(25)41(31)38-39-36(35-28-13-4-7-15-32(28)42-37(35)40-38)24-17-18-27-26-12-5-8-16-33(26)43-34(27)21-24/h1-21,36H,(H,39,40).
What are the key properties of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine?
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 569.69 g/mol, XLogP of 10.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-1,4-dihydro-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 137433804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).