12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

C156H88N16OS3 — CID 163663933

IUPAC12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)c1
InChIInChI=1S/C39H22N4O.3C39H22N4S/c1-40-27-10-8-9-26(23-27)24-17-19-25(20-18-24)36-32-13-2-5-14-33(32)41-39(42-36)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-10-8-9-25(23-26)36-32-13-2-5-14-33(32)41-39(42-36)24-17-19-27(20-18-24)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-18-14-24(15-19-26)36-32-10-2-5-11-33(32)41-39(42-36)25-16-20-27(21-17-25)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43;1-40-27-20-18-25(19-21-27)24-14-16-26(17-15-24)36-32-10-2-5-11-33(32)41-39(42-36)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43/h4*2-23H
InChIKeyIWSZLIORZITQDH-UHFFFAOYSA-N
MW2298.73 g/mol
LogP43.45
Rot. Bonds12

About 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 163663933) has the molecular formula C156H88N16OS3 and a molecular weight of 2298.73 g/mol. Its IUPAC name is 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID163663933
Molecular FormulaC156H88N16OS3
Molecular Weight2298.73 g/mol
Exact Mass2296.65
IUPAC Name12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)c1
InChIInChI=1S/C39H22N4O.3C39H22N4S/c1-40-27-10-8-9-26(23-27)24-17-19-25(20-18-24)36-32-13-2-5-14-33(32)41-39(42-36)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-10-8-9-25(23-26)36-32-13-2-5-14-33(32)41-39(42-36)24-17-19-27(20-18-24)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-18-14-24(15-19-26)36-32-10-2-5-11-33(32)41-39(42-36)25-16-20-27(21-17-25)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43;1-40-27-20-18-25(19-21-27)24-14-16-26(17-15-24)36-32-10-2-5-11-33(32)41-39(42-36)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43/h4*2-23H
InChIKeyIWSZLIORZITQDH-UHFFFAOYSA-N
XLogP43.45
TPSA153.42 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.73
LogP ≤ 543.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (CID 163663933) is 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is [C-]#[N+]c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)nc4ccccc34)cc2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)cc1.[C-]#[N+]c1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)nc4ccccc34)cc2)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)nc3ccccc23)c1.
What is the InChIKey of 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is IWSZLIORZITQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O.3C39H22N4S/c1-40-27-10-8-9-26(23-27)24-17-19-25(20-18-24)36-32-13-2-5-14-33(32)41-39(42-36)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-10-8-9-25(23-26)36-32-13-2-5-14-33(32)41-39(42-36)24-17-19-27(20-18-24)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-40-26-18-14-24(15-19-26)36-32-10-2-5-11-33(32)41-39(42-36)25-16-20-27(21-17-25)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43;1-40-27-20-18-25(19-21-27)24-14-16-26(17-15-24)36-32-10-2-5-11-33(32)41-39(42-36)43-34-12-6-3-8-28(34)30-22-23-31-29-9-4-7-13-35(29)44-38(31)37(30)43/h4*2-23H.
What are the key properties of 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?
12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2298.73 g/mol, XLogP of 43.45, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 163663933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).