3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile

C174H104N22O2 — CID 158887019

About 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile

3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile (PubChem CID 158887019) has the molecular formula C174H104N22O2 and a molecular weight of 2534.90 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile
• PubChem CID: 158887019
• Molecular Formula: C174H104N22O2
• Molecular Weight: 2534.90 g/mol
• Exact Mass: 2532.87
• IUPAC Name: 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile
• SMILES: N#Cc1cc(-c2ccccc2)nc(-c2ccccc2N2c3ccccc3Oc3ccccc32)n1.N#Cc1cnc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)n1.[C-]#[N+]c1cnc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([N+]#[C-])c1
• InChI: InChI=1S/C42H26N4O.C41H25N5.C37H21N5.C29H18N4O.C25H14N4/c1-43-40-27-34(28-15-3-2-4-16-28)44-41(45-40)29-17-5-10-22-35(29)46-36-23-11-6-18-30(36)42(31-19-7-12-24-37(31)46)32-20-8-13-25-38(32)47-39-26-14-9-21-33(39)42;1-42-40-26-34(27-14-4-2-5-15-27)43-41(44-40)31-20-10-13-23-37(31)46-36-22-12-9-19-30(36)33-24-38-32(25-39(33)46)29-18-8-11-21-35(29)45(38)28-16-6-3-7-17-28;1-38-24-21-31(39-2)37(40-23-24)29-14-6-10-18-35(29)42-34-17-9-5-13-28(34)30-22-25(19-20-36(30)42)41-32-15-7-3-11-26(32)27-12-4-8-16-33(27)41;30-19-21-18-23(20-10-2-1-3-11-20)32-29(31-21)22-12-4-5-13-24(22)33-25-14-6-8-16-27(25)34-28-17-9-7-15-26(28)33;26-14-17-13-18(15-27)25(28-16-17)21-9-3-6-12-24(21)29-22-10-4-1-7-19(22)20-8-2-5-11-23(20)29/h2-27H;2-26H;3-23H;1-18H;1-13,16H
• InChIKey: JDTHMGLITONIKA-UHFFFAOYSA-N
• XLogP: 44.08
• TPSA: 241.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2534.90
LogP ≤ 5	44.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile?

The IUPAC name of 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile (CID 158887019) is 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile.

What is the SMILES notation for 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile?

The canonical SMILES for 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(-c2ccccc2N2c3ccccc3Oc3ccccc32)n1.N#Cc1cnc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)n1.[C-]#[N+]c1cc(-c2ccccc2)nc(-c2ccccc2N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)n1.[C-]#[N+]c1cnc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c([N+]#[C-])c1.

What is the InChIKey of 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile?

The InChIKey is JDTHMGLITONIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O.C41H25N5.C37H21N5.C29H18N4O.C25H14N4/c1-43-40-27-34(28-15-3-2-4-16-28)44-41(45-40)29-17-5-10-22-35(29)46-36-23-11-6-18-30(36)42(31-19-7-12-24-37(31)46)32-20-8-13-25-38(32)47-39-26-14-9-21-33(39)42;1-42-40-26-34(27-14-4-2-5-15-27)43-41(44-40)31-20-10-13-23-37(31)46-36-22-12-9-19-30(36)33-24-38-32(25-39(33)46)29-18-8-11-21-35(29)45(38)28-16-6-3-7-17-28;1-38-24-21-31(39-2)37(40-23-24)29-14-6-10-18-35(29)42-34-17-9-5-13-28(34)30-22-25(19-20-36(30)42)41-32-15-7-3-11-26(32)27-12-4-8-16-33(27)41;30-19-21-18-23(20-10-2-1-3-11-20)32-29(31-21)22-12-4-5-13-24(22)33-25-14-6-8-16-27(25)34-28-17-9-7-15-26(28)33;26-14-17-13-18(15-27)25(28-16-17)21-9-3-6-12-24(21)29-22-10-4-1-7-19(22)20-8-2-5-11-23(20)29/h2-27H;2-26H;3-23H;1-18H;1-13,16H.

What are the key properties of 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile?

3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 2534.90 g/mol, XLogP of 44.08, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[2-(3,5-diisocyano-2-pyridinyl)phenyl]carbazole;2-(2-carbazol-9-ylphenyl)pyridine-3,5-dicarbonitrile;11-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;10-[2-(4-isocyano-6-phenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-xanthene];2-(2-phenoxazin-10-ylphenyl)-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 158887019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).