9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile

C150H87N15 — CID 162252190

IUPAC9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1c(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cccc1-n1c2ccccc2c2cccc(C#N)c21.[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc(-n2c3ccccc3c3cccc(C#N)c32)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/3C50H29N5/c1-52-43-28-23-33(29-49(43)55-47-20-9-5-15-40(47)42-16-10-11-34(31-51)50(42)55)32-21-24-35(25-22-32)53-44-17-6-4-14-39(44)41-27-26-36(30-48(41)53)54-45-18-7-2-12-37(45)38-13-3-8-19-46(38)54;1-52-35-27-34(28-38(29-35)55-48-20-9-5-15-42(48)44-16-10-11-33(31-51)50(44)55)32-21-23-36(24-22-32)53-45-17-6-4-14-41(45)43-26-25-37(30-49(43)53)54-46-18-7-2-12-39(46)40-13-3-8-19-47(40)54;51-30-33-11-9-17-42-40-15-4-8-21-47(40)55(50(33)42)48-22-10-16-36(43(48)31-52)32-23-25-34(26-24-32)53-44-18-5-3-14-39(44)41-28-27-35(29-49(41)53)54-45-19-6-1-12-37(45)38-13-2-7-20-46(38)54/h2*2-30H;1-29H
InChIKeyZYCYXUAPWBTDHI-UHFFFAOYSA-N
MW2099.45 g/mol
LogP38.52
Rot. Bonds12

About 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile

9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile (PubChem CID 162252190) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile
PubChem CID162252190
Molecular FormulaC150H87N15
Molecular Weight2099.45 g/mol
Exact Mass2097.73
IUPAC Name9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile
SMILESN#Cc1c(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cccc1-n1c2ccccc2c2cccc(C#N)c21.[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc(-n2c3ccccc3c3cccc(C#N)c32)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1-n1c2ccccc2c2cccc(C#N)c21
InChIInChI=1S/3C50H29N5/c1-52-43-28-23-33(29-49(43)55-47-20-9-5-15-40(47)42-16-10-11-34(31-51)50(42)55)32-21-24-35(25-22-32)53-44-17-6-4-14-39(44)41-27-26-36(30-48(41)53)54-45-18-7-2-12-37(45)38-13-3-8-19-46(38)54;1-52-35-27-34(28-38(29-35)55-48-20-9-5-15-42(48)44-16-10-11-33(31-51)50(44)55)32-21-23-36(24-22-32)53-45-17-6-4-14-41(45)43-26-25-37(30-49(43)53)54-46-18-7-2-12-39(46)40-13-3-8-19-47(40)54;51-30-33-11-9-17-42-40-15-4-8-21-47(40)55(50(33)42)48-22-10-16-36(43(48)31-52)32-23-25-34(26-24-32)53-44-18-5-3-14-39(44)41-28-27-35(29-49(41)53)54-45-19-6-1-12-37(45)38-13-2-7-20-46(38)54/h2*2-30H;1-29H
InChIKeyZYCYXUAPWBTDHI-UHFFFAOYSA-N
XLogP38.52
TPSA148.25 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.45
LogP ≤ 538.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(2-isocyanocarbazol-9-yl)benzonitrile;1-carbazol-9-yl-9-[2-[3-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;1-carbazol-9-yl-9-[2-[4-isocyano-3-(2-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158806729
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
9-[2-[2-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile;9-[2-[2-[5-(4-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile;9-[2-[2-[2-isocyano-5-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162072529
9-[3-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-1-carbonitrile;9-[3-[4-[5-cyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[3-[4-[5-cyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;4-(3-isocyanocarbazol-9-yl)-3-[4-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 161491460
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
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
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
9-[2-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155081310
2-(4-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604643
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(2-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159299446
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]-5-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile;2-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-3-isocyanobenzonitrile;3-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
CID 161101793
9-[3-(3-carbazol-9-yl-5-cyanophenyl)-5-(2-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[3-(3-carbazol-9-yl-5-cyanophenyl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile;9-[3-(3-carbazol-9-yl-2-cyanophenyl)-5-phenylphenyl]carbazole-2-carbonitrile;9-[3-(3-carbazol-9-yl-4-cyanophenyl)-5-phenylphenyl]carbazole-1-carbonitrile
CID 165012311

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile?
The IUPAC name of 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile (CID 162252190) is 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile is N#Cc1c(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cccc1-n1c2ccccc2c2cccc(C#N)c21.[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc(-n2c3ccccc3c3cccc(C#N)c32)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1-n1c2ccccc2c2cccc(C#N)c21.
What is the InChIKey of 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile?
The InChIKey is ZYCYXUAPWBTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H29N5/c1-52-43-28-23-33(29-49(43)55-47-20-9-5-15-40(47)42-16-10-11-34(31-51)50(42)55)32-21-24-35(25-22-32)53-44-17-6-4-14-39(44)41-27-26-36(30-48(41)53)54-45-18-7-2-12-37(45)38-13-3-8-19-46(38)54;1-52-35-27-34(28-38(29-35)55-48-20-9-5-15-42(48)44-16-10-11-33(31-51)50(44)55)32-21-23-36(24-22-32)53-45-17-6-4-14-41(45)43-26-25-37(30-49(43)53)54-46-18-7-2-12-39(46)40-13-3-8-19-47(40)54;51-30-33-11-9-17-42-40-15-4-8-21-47(40)55(50(33)42)48-22-10-16-36(43(48)31-52)32-23-25-34(26-24-32)53-44-18-5-3-14-39(44)41-28-27-35(29-49(41)53)54-45-19-6-1-12-37(45)38-13-2-7-20-46(38)54/h2*2-30H;1-29H.
What are the key properties of 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile?
9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile has a molecular weight of 2099.45 g/mol, XLogP of 38.52, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-1-carbonitrile;9-[5-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-isocyanophenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 162252190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).