11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

C144H80N16O2S2 — CID 163808342

About 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 163808342) has the molecular formula C144H80N16O2S2 and a molecular weight of 2130.47 g/mol. Its IUPAC name is 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
• PubChem CID: 163808342
• Molecular Formula: C144H80N16O2S2
• Molecular Weight: 2130.47 g/mol
• Exact Mass: 2128.61
• IUPAC Name: 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc3ccccc23)cc1.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc4ccccc34)cc2)c1
• InChI: InChI=1S/C39H22N4O.C39H22N4S.C33H18N4O.C33H18N4S/c1-40-27-10-8-9-26(21-27)24-17-19-25(20-18-24)38-30-13-2-5-14-33(30)41-39(42-38)43-34-15-6-3-11-28(34)31-23-37-32(22-35(31)43)29-12-4-7-16-36(29)44-37;1-40-27-20-18-25(19-21-27)24-14-16-26(17-15-24)38-30-10-2-5-11-33(30)41-39(42-38)43-34-12-6-3-8-28(34)31-23-37-32(22-35(31)43)29-9-4-7-13-36(29)44-37;2*1-34-21-16-14-20(15-17-21)32-24-10-2-5-11-27(24)35-33(36-32)37-28-12-6-3-8-22(28)25-19-31-26(18-29(25)37)23-9-4-7-13-30(23)38-31/h2*2-23H;2*2-19H
• InChIKey: NLAZSSRRKORULO-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 166.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.47
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?

The IUPAC name of 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (CID 163808342) is 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.

What is the SMILES notation for 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?

The canonical SMILES for 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is [C-]#[N+]c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc3ccccc23)cc1.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc4ccccc34)cc2)c1.

What is the InChIKey of 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?

The InChIKey is NLAZSSRRKORULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O.C39H22N4S.C33H18N4O.C33H18N4S/c1-40-27-10-8-9-26(21-27)24-17-19-25(20-18-24)38-30-13-2-5-14-33(30)41-39(42-38)43-34-15-6-3-11-28(34)31-23-37-32(22-35(31)43)29-12-4-7-16-36(29)44-37;1-40-27-20-18-25(19-21-27)24-14-16-26(17-15-24)38-30-10-2-5-11-33(30)41-39(42-38)43-34-12-6-3-8-28(34)31-23-37-32(22-35(31)43)29-9-4-7-13-36(29)44-37;2*1-34-21-16-14-20(15-17-21)32-24-10-2-5-11-27(24)35-33(36-32)37-28-12-6-3-8-22(28)25-19-31-26(18-29(25)37)23-9-4-7-13-30(23)38-31/h2*2-23H;2*2-19H.

What are the key properties of 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?

11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 2130.47 g/mol, XLogP of 39.65, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4-isocyanophenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 163808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).