10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile

C201H123N13 — CID 160622619

About 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile

10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile (PubChem CID 160622619) has the molecular formula C201H123N13 and a molecular weight of 2720.29 g/mol. Its IUPAC name is 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile.

Molecular Properties

• Compound Name: 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile
• PubChem CID: 160622619
• Molecular Formula: C201H123N13
• Molecular Weight: 2720.29 g/mol
• Exact Mass: 2718.00
• IUPAC Name: 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile
• SMILES: N#Cc1ccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.[C-]#[N+]c1cccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1[N+]#[C-].[C-]#[N+]c1ccccc1-c1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C51H30N4.3C50H31N3/c1-52-45-25-15-20-36(50(45)53-2)33-30-34(54-46-26-11-5-18-39(46)40-19-6-12-27-47(40)54)32-35(31-33)55-48-28-13-9-23-43(48)51(44-24-10-14-29-49(44)55)41-21-7-3-16-37(41)38-17-4-8-22-42(38)51;1-51-45-25-11-4-16-36(45)33-30-34(52-46-26-12-5-19-39(46)40-20-6-13-27-47(40)52)32-35(31-33)53-48-28-14-9-23-43(48)50(44-24-10-15-29-49(44)53)41-21-7-2-17-37(41)38-18-3-8-22-42(38)50;1-51-35-16-14-15-33(29-35)34-30-36(52-46-25-10-4-19-40(46)41-20-5-11-26-47(41)52)32-37(31-34)53-48-27-12-8-23-44(48)50(45-24-9-13-28-49(45)53)42-21-6-2-17-38(42)39-18-3-7-22-43(39)50;51-32-33-25-27-34(28-26-33)35-29-36(52-46-21-9-3-15-40(46)41-16-4-10-22-47(41)52)31-37(30-35)53-48-23-11-7-19-44(48)50(45-20-8-12-24-49(45)53)42-17-5-1-13-38(42)39-14-2-6-18-43(39)50/h3-32H;2*2-32H;1-31H
• InChIKey: RGWXCYIGQHXZPQ-UHFFFAOYSA-N
• XLogP: 52.46
• TPSA: 73.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2720.29
LogP ≤ 5	52.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile?

The IUPAC name of 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile (CID 160622619) is 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile.

What is the SMILES notation for 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile?

The canonical SMILES for 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile is N#Cc1ccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.[C-]#[N+]c1cccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1[N+]#[C-].[C-]#[N+]c1ccccc1-c1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile?

The InChIKey is RGWXCYIGQHXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4.3C50H31N3/c1-52-45-25-15-20-36(50(45)53-2)33-30-34(54-46-26-11-5-18-39(46)40-19-6-12-27-47(40)54)32-35(31-33)55-48-28-13-9-23-43(48)51(44-24-10-14-29-49(44)55)41-21-7-3-16-37(41)38-17-4-8-22-42(38)51;1-51-45-25-11-4-16-36(45)33-30-34(52-46-26-12-5-19-39(46)40-20-6-13-27-47(40)52)32-35(31-33)53-48-28-14-9-23-43(48)50(44-24-10-15-29-49(44)53)41-21-7-2-17-37(41)38-18-3-8-22-42(38)50;1-51-35-16-14-15-33(29-35)34-30-36(52-46-25-10-4-19-40(46)41-20-5-11-26-47(41)52)32-37(31-34)53-48-27-12-8-23-44(48)50(45-24-9-13-28-49(45)53)42-21-6-2-17-38(42)39-18-3-7-22-43(39)50;51-32-33-25-27-34(28-26-33)35-29-36(52-46-21-9-3-15-40(46)41-16-4-10-22-47(41)52)31-37(30-35)53-48-23-11-7-19-44(48)50(45-20-8-12-24-49(45)53)42-17-5-1-13-38(42)39-14-2-6-18-43(39)50/h3-32H;2*2-32H;1-31H.

What are the key properties of 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile?

10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile has a molecular weight of 2720.29 g/mol, XLogP of 52.46, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-carbazol-9-yl-5-(2,3-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];10-[3-carbazol-9-yl-5-(3-isocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene];4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzonitrile is sourced from PubChem (CID 160622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).