4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine

C164H134N14O3S3 — CID 159766507

IUPAC4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12
InChIInChI=1S/C32H25N3O.C32H25N3S.C26H22N2O.C26H22N2S.C24H20N2O.C24H20N2S/c2*1-32(2,3)29-28-23-14-8-10-16-27(23)36-31(28)34-30(33-29)20-17-18-26-24(19-20)22-13-7-9-15-25(22)35(26)21-11-5-4-6-12-21;2*1-26(2,3)23-22-20-11-7-8-12-21(20)29-25(22)28-24(27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17;2*1-24(2,3)21-20-18-10-6-7-11-19(18)27-23(20)26-22(25-21)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-19H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3
InChIKeyNFOMLBDHWBXWJG-UHFFFAOYSA-N
MW2445.17 g/mol
LogP45.28
Rot. Bonds10

About 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine

4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 159766507) has the molecular formula C164H134N14O3S3 and a molecular weight of 2445.17 g/mol. Its IUPAC name is 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID159766507
Molecular FormulaC164H134N14O3S3
Molecular Weight2445.17 g/mol
Exact Mass2442.99
IUPAC Name4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12
InChIInChI=1S/C32H25N3O.C32H25N3S.C26H22N2O.C26H22N2S.C24H20N2O.C24H20N2S/c2*1-32(2,3)29-28-23-14-8-10-16-27(23)36-31(28)34-30(33-29)20-17-18-26-24(19-20)22-13-7-9-15-25(22)35(26)21-11-5-4-6-12-21;2*1-26(2,3)23-22-20-11-7-8-12-21(20)29-25(22)28-24(27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17;2*1-24(2,3)21-20-18-10-6-7-11-19(18)27-23(20)26-22(25-21)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-19H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3
InChIKeyNFOMLBDHWBXWJG-UHFFFAOYSA-N
XLogP45.28
TPSA203.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002445.17
LogP ≤ 545.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 160601783
4-chloro-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-chloro-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-chloro-2-thianthren-2-yl-[1]benzothiolo[2,3-d]pyrimidine
CID 159884146
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333643
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768583
4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 161201220
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine (CID 159766507) is 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine is CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2sc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2oc3ccccc3c12.CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc2sc3ccccc3c12.
What is the InChIKey of 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is NFOMLBDHWBXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O.C32H25N3S.C26H22N2O.C26H22N2S.C24H20N2O.C24H20N2S/c2*1-32(2,3)29-28-23-14-8-10-16-27(23)36-31(28)34-30(33-29)20-17-18-26-24(19-20)22-13-7-9-15-25(22)35(26)21-11-5-4-6-12-21;2*1-26(2,3)23-22-20-11-7-8-12-21(20)29-25(22)28-24(27-23)19-15-13-18(14-16-19)17-9-5-4-6-10-17;2*1-24(2,3)21-20-18-10-6-7-11-19(18)27-23(20)26-22(25-21)17-13-12-15-8-4-5-9-16(15)14-17/h2*4-19H,1-3H3;2*4-16H,1-3H3;2*4-14H,1-3H3.
What are the key properties of 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 2445.17 g/mol, XLogP of 45.28, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-tert-butyl-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 159766507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).