2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile

C184H108N12 — CID 162155580

IUPAC2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/2C49H29N3.2C43H25N3/c50-30-31-18-23-47-43(26-31)45-28-33(32-19-24-48-44(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)20-25-49(45)52(47)35-21-22-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)42(40)29-35;50-30-31-18-24-47-44(26-31)42-22-19-33(32-20-25-48-45(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)28-49(42)52(47)35-21-23-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)43(40)29-35;1-44-27-18-23-42-39(24-27)37-22-20-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)26-43(37)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)38(34)25-28;1-44-27-18-22-42-38(24-27)39-26-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)20-23-43(39)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)37(34)25-28/h2*1-29H;2*2-26H
InChIKeyZLTYEAIOAYGFNC-UHFFFAOYSA-N
MW2486.97 g/mol
LogP49.54
Rot. Bonds10

About 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile

2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile (PubChem CID 162155580) has the molecular formula C184H108N12 and a molecular weight of 2486.97 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
PubChem CID162155580
Molecular FormulaC184H108N12
Molecular Weight2486.97 g/mol
Exact Mass2484.88
IUPAC Name2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/2C49H29N3.2C43H25N3/c50-30-31-18-23-47-43(26-31)45-28-33(32-19-24-48-44(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)20-25-49(45)52(47)35-21-22-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)42(40)29-35;50-30-31-18-24-47-44(26-31)42-22-19-33(32-20-25-48-45(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)28-49(42)52(47)35-21-23-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)43(40)29-35;1-44-27-18-23-42-39(24-27)37-22-20-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)26-43(37)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)38(34)25-28;1-44-27-18-22-42-38(24-27)39-26-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)20-23-43(39)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)37(34)25-28/h2*1-29H;2*2-26H
InChIKeyZLTYEAIOAYGFNC-UHFFFAOYSA-N
XLogP49.54
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002486.97
LogP ≤ 549.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile with MolForge

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Related Compounds

6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
3-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 140760373
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
CID 159502999
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
2-(3,5-diphenylphenyl)-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-[6-[4-[7-(3-isocyano-5-phenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-2-yl]-5-phenylbenzonitrile
CID 157208195
4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
CID 140760365
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile (CID 162155580) is 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1ccc(-n3c4ccccc4c4ccccc43)cc1n2-c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile?
The InChIKey is ZLTYEAIOAYGFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N3.2C43H25N3/c50-30-31-18-23-47-43(26-31)45-28-33(32-19-24-48-44(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)20-25-49(45)52(47)35-21-22-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)42(40)29-35;50-30-31-18-24-47-44(26-31)42-22-19-33(32-20-25-48-45(27-32)41-16-8-9-17-46(41)51(48)34-10-2-1-3-11-34)28-49(42)52(47)35-21-23-40-38-14-5-4-12-36(38)37-13-6-7-15-39(37)43(40)29-35;1-44-27-18-23-42-39(24-27)37-22-20-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)26-43(37)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)38(34)25-28;1-44-27-18-22-42-38(24-27)39-26-29(45-40-16-8-6-14-35(40)36-15-7-9-17-41(36)45)20-23-43(39)46(42)28-19-21-34-32-12-3-2-10-30(32)31-11-4-5-13-33(31)37(34)25-28/h2*1-29H;2*2-26H.
What are the key properties of 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile?
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile has a molecular weight of 2486.97 g/mol, XLogP of 49.54, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 162155580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).