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

C150H87N15 — CID 160900211

IUPAC9-[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
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.N#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1-c1ccc(-n2c3ccccc3c3ccc(C#N)cc32)cc1
InChIInChI=1S/3C50H29N5/c1-52-40-16-10-21-45(49(40)33-25-27-34(28-26-33)53-41-17-6-2-14-37(41)38-29-24-32(31-51)30-48(38)53)55-44-20-9-5-15-39(44)50-46(22-11-23-47(50)55)54-42-18-7-3-12-35(42)36-13-4-8-19-43(36)54;51-30-32-21-27-46(41(28-32)34-22-24-35(25-23-34)53-42-14-5-1-12-38(42)39-26-20-33(31-52)29-49(39)53)55-45-17-8-4-13-40(45)50-47(18-9-19-48(50)55)54-43-15-6-2-10-36(43)37-11-3-7-16-44(37)54;51-30-32-20-26-36(34-22-24-35(25-23-34)53-42-14-5-1-12-39(42)40-27-21-33(31-52)29-49(40)53)48(28-32)55-45-17-8-4-13-41(45)50-46(18-9-19-47(50)55)54-43-15-6-2-10-37(43)38-11-3-7-16-44(38)54/h2-30H;2*1-29H
InChIKeySPKCIWBSSNQXIP-UHFFFAOYSA-N
MW2099.45 g/mol
LogP37.84
Rot. Bonds12

About 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

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 (PubChem CID 160900211) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID160900211
Molecular FormulaC150H87N15
Molecular Weight2099.45 g/mol
Exact Mass2097.73
IUPAC Name9-[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
SMILESN#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.N#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1-c1ccc(-n2c3ccccc3c3ccc(C#N)cc32)cc1
InChIInChI=1S/3C50H29N5/c1-52-40-16-10-21-45(49(40)33-25-27-34(28-26-33)53-41-17-6-2-14-37(41)38-29-24-32(31-51)30-48(38)53)55-44-20-9-5-15-39(44)50-46(22-11-23-47(50)55)54-42-18-7-3-12-35(42)36-13-4-8-19-43(36)54;51-30-32-21-27-46(41(28-32)34-22-24-35(25-23-34)53-42-14-5-1-12-38(42)39-26-20-33(31-52)29-49(39)53)55-45-17-8-4-13-40(45)50-47(18-9-19-48(50)55)54-43-15-6-2-10-36(43)37-11-3-7-16-44(37)54;51-30-32-20-26-36(34-22-24-35(25-23-34)53-42-14-5-1-12-39(42)40-27-21-33(31-52)29-49(40)53)48(28-32)55-45-17-8-4-13-41(45)50-46(18-9-19-47(50)55)54-43-15-6-2-10-37(43)38-11-3-7-16-44(38)54/h2-30H;2*1-29H
InChIKeySPKCIWBSSNQXIP-UHFFFAOYSA-N
XLogP37.84
TPSA167.68 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.45
LogP ≤ 537.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carbazol-9-ylcarbazol-9-yl)-4-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-(4-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 159244859
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 154958170
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
4-carbazol-9-yl-3-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(1-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(2-isocyanocarbazol-9-yl)benzonitrile;2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile
CID 162222282
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
2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-(3-isocyanocarbazol-9-yl)benzonitrile;3-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-carbazol-9-yl-9-[2-[4-isocyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158470563
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155603718
3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-ylphenyl)benzonitrile;7-[2-(3-carbazol-9-ylphenyl)-3-isocyanophenyl]-[1]benzofuro[2,3-b]carbazole;5-[2-(3-carbazol-9-ylphenyl)-3-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole;3-(3-carbazol-9-ylphenyl)-4-(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-nonaen-14-yl)benzonitrile
CID 160502488
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.N#Cc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c(-c2ccc(-n3c4ccccc4c4ccc(C#N)cc43)cc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1-c1ccc(-n2c3ccccc3c3ccc(C#N)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is SPKCIWBSSNQXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H29N5/c1-52-40-16-10-21-45(49(40)33-25-27-34(28-26-33)53-41-17-6-2-14-37(41)38-29-24-32(31-51)30-48(38)53)55-44-20-9-5-15-39(44)50-46(22-11-23-47(50)55)54-42-18-7-3-12-35(42)36-13-4-8-19-43(36)54;51-30-32-21-27-46(41(28-32)34-22-24-35(25-23-34)53-42-14-5-1-12-38(42)39-26-20-33(31-52)29-49(39)53)55-45-17-8-4-13-40(45)50-47(18-9-19-48(50)55)54-43-15-6-2-10-36(43)37-11-3-7-16-44(37)54;51-30-32-20-26-36(34-22-24-35(25-23-34)53-42-14-5-1-12-39(42)40-27-21-33(31-52)29-49(40)53)48(28-32)55-45-17-8-4-13-41(45)50-46(18-9-19-47(50)55)54-43-15-6-2-10-37(43)38-11-3-7-16-44(38)54/h2-30H;2*1-29H.
What are the key properties of 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?
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 has a molecular weight of 2099.45 g/mol, XLogP of 37.84, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160900211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).