7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole

C118H97N5O2S — CID 159380468

About 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole

7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 159380468) has the molecular formula C118H97N5O2S and a molecular weight of 1649.17 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole
• PubChem CID: 159380468
• Molecular Formula: C118H97N5O2S
• Molecular Weight: 1649.17 g/mol
• Exact Mass: 1647.74
• IUPAC Name: 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole
• SMILES: CC(C)(C)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1
• InChI: InChI=1S/C34H28N2.2C28H23NO.C28H23NS/c1-34(2,3)23-17-19-25(20-18-23)36-31-16-10-8-14-27(31)29-21-32-28(22-33(29)36)26-13-7-9-15-30(26)35(32)24-11-5-4-6-12-24;1-28(2,3)18-12-14-19(15-13-18)29-23-10-6-4-9-22(23)26-24(29)17-16-21-20-8-5-7-11-25(20)30-27(21)26;1-28(2,3)18-12-14-19(15-13-18)29-24-10-6-4-8-20(24)22-16-23-21-9-5-7-11-26(21)30-27(23)17-25(22)29;1-28(2,3)18-12-14-19(15-13-18)29-23-10-6-4-9-22(23)26-24(29)17-16-21-20-8-5-7-11-25(20)30-27(21)26/h4-22H,1-3H3;3*4-17H,1-3H3
• InChIKey: LKVLTCLNQAYEFK-UHFFFAOYSA-N
• XLogP: 33.59
• TPSA: 50.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1649.17
LogP ≤ 5	33.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole?

The IUPAC name of 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole (CID 159380468) is 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1.

What is the InChIKey of 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole?

The InChIKey is LKVLTCLNQAYEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2.2C28H23NO.C28H23NS/c1-34(2,3)23-17-19-25(20-18-23)36-31-16-10-8-14-27(31)29-21-32-28(22-33(29)36)26-13-7-9-15-30(26)35(32)24-11-5-4-6-12-24;1-28(2,3)18-12-14-19(15-13-18)29-23-10-6-4-9-22(23)26-24(29)17-16-21-20-8-5-7-11-25(20)30-27(21)26;1-28(2,3)18-12-14-19(15-13-18)29-24-10-6-4-8-20(24)22-16-23-21-9-5-7-11-26(21)30-27(23)17-25(22)29;1-28(2,3)18-12-14-19(15-13-18)29-23-10-6-4-9-22(23)26-24(29)17-16-21-20-8-5-7-11-25(20)30-27(21)26/h4-22H,1-3H3;3*4-17H,1-3H3.

What are the key properties of 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole?

7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 1649.17 g/mol, XLogP of 33.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylphenyl)-[1]benzofuro[2,3-b]carbazole;5-(4-tert-butylphenyl)-[1]benzofuro[3,2-c]carbazole;5-(4-tert-butylphenyl)-[1]benzothiolo[3,2-c]carbazole;11-(4-tert-butylphenyl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 159380468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).