2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

C150H87N15 — CID 162049699

IUPAC2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-n1c2ccccc2c2c([N+]#[C-])cccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c([N+]#[C-])cccc32)cc1.[C-]#[N+]c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c1
InChIInChI=1S/3C50H29N5/c1-51-40-19-13-25-49-50(40)38-18-7-12-24-46(38)55(49)48-28-26-32(30-41(48)52-2)34-14-3-8-20-42(34)54-45-23-11-6-17-37(45)39-31-33(27-29-47(39)54)53-43-21-9-4-15-35(43)36-16-5-10-22-44(36)53;1-51-40-17-11-23-47(49(40)32-25-27-33(28-26-32)53-45-22-10-6-16-38(45)50-41(52-2)18-12-24-48(50)53)55-44-21-9-5-15-37(44)39-31-34(29-30-46(39)55)54-42-19-7-3-13-35(42)36-14-4-8-20-43(36)54;1-52-42-18-12-24-49-50(42)40-17-6-11-23-47(40)54(49)33-25-27-35(32(29-33)31-51)36-13-2-9-21-45(36)55-46-22-10-5-16-39(46)41-30-34(26-28-48(41)55)53-43-19-7-3-14-37(43)38-15-4-8-20-44(38)53/h2*3-31H;2-30H
InChIKeyYYJQIASZQDCHLG-UHFFFAOYSA-N
MW2099.45 g/mol
LogP40.56
Rot. Bonds12

About 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole

2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 162049699) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID162049699
Molecular FormulaC150H87N15
Molecular Weight2099.45 g/mol
Exact Mass2097.73
IUPAC Name2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-n1c2ccccc2c2c([N+]#[C-])cccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c([N+]#[C-])cccc32)cc1.[C-]#[N+]c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c1
InChIInChI=1S/3C50H29N5/c1-51-40-19-13-25-49-50(40)38-18-7-12-24-46(38)55(49)48-28-26-32(30-41(48)52-2)34-14-3-8-20-42(34)54-45-23-11-6-17-37(45)39-31-33(27-29-47(39)54)53-43-21-9-4-15-35(43)36-16-5-10-22-44(36)53;1-51-40-17-11-23-47(49(40)32-25-27-33(28-26-32)53-45-22-10-6-16-38(45)50-41(52-2)18-12-24-48(50)53)55-44-21-9-5-15-37(44)39-31-34(29-30-46(39)55)54-42-19-7-3-13-35(42)36-14-4-8-20-43(36)54;1-52-42-18-12-24-49-50(42)40-17-6-11-23-47(40)54(49)33-25-27-35(32(29-33)31-51)36-13-2-9-21-45(36)55-46-22-10-5-16-39(46)41-30-34(26-28-48(41)55)53-43-19-7-3-14-37(43)38-15-4-8-20-44(38)53/h2*3-31H;2-30H
InChIKeyYYJQIASZQDCHLG-UHFFFAOYSA-N
XLogP40.56
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002099.45
LogP ≤ 540.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158231899
2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(4-isocyanocarbazol-9-yl)benzonitrile
CID 177256897
9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile;9-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile;4-carbazol-9-yl-9-[4-isocyano-3-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 161332658
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[2-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-5-carbazol-9-ylbenzonitrile;7-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-(4-carbazol-9-yl-3-isocyanophenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159729140
9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]carbazole-2-carbonitrile
CID 160900211
9-[3-[5-cyano-2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604221
2-(4-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604643
5-(4-carbazol-9-ylphenyl)-2-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604262
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 155081294
2-(4-carbazol-9-ylphenyl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155603947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole (CID 162049699) is 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is [C-]#[N+]c1cc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-n1c2ccccc2c2c([N+]#[C-])cccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c([N+]#[C-])cccc32)cc1.[C-]#[N+]c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C#N)c1.
What is the InChIKey of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is YYJQIASZQDCHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H29N5/c1-51-40-19-13-25-49-50(40)38-18-7-12-24-46(38)55(49)48-28-26-32(30-41(48)52-2)34-14-3-8-20-42(34)54-45-23-11-6-17-37(45)39-31-33(27-29-47(39)54)53-43-21-9-4-15-35(43)36-16-5-10-22-44(36)53;1-51-40-17-11-23-47(49(40)32-25-27-33(28-26-32)53-45-22-10-6-16-38(45)50-41(52-2)18-12-24-48(50)53)55-44-21-9-5-15-37(44)39-31-34(29-30-46(39)55)54-42-19-7-3-13-35(42)36-14-4-8-20-43(36)54;1-52-42-18-12-24-49-50(42)40-17-6-11-23-47(40)54(49)33-25-27-35(32(29-33)31-51)36-13-2-9-21-45(36)55-46-22-10-5-16-39(46)41-30-34(26-28-48(41)55)53-43-19-7-3-14-37(43)38-15-4-8-20-44(38)53/h2*3-31H;2-30H.
What are the key properties of 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole?
2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 2099.45 g/mol, XLogP of 40.56, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(4-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(4-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 162049699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).