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

C150H87N15 — CID 159244859

IUPAC3-(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
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)ccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/3C50H29N5/c1-51-33-28-29-45-39(31-33)37-18-5-7-21-41(37)53(45)34-15-11-14-32(30-34)49-40(52-2)20-12-25-46(49)55-44-24-10-6-19-38(44)50-47(26-13-27-48(50)55)54-42-22-8-3-16-35(42)36-17-4-9-23-43(36)54;1-52-34-25-27-46-41(30-34)39-16-4-6-18-42(39)53(46)35-13-10-12-33(29-35)36-26-24-32(31-51)28-49(36)55-45-21-9-5-17-40(45)50-47(22-11-23-48(50)55)54-43-19-7-2-14-37(43)38-15-3-8-20-44(38)54;1-52-34-25-27-47-41(30-34)38-16-4-6-18-42(38)53(47)35-13-10-12-33(29-35)40-28-32(31-51)24-26-46(40)55-45-21-9-5-17-39(45)50-48(22-11-23-49(50)55)54-43-19-7-2-14-36(43)37-15-3-8-20-44(37)54/h3-31H;2*2-30H
InChIKeyKUOAUOZGADWJDL-UHFFFAOYSA-N
MW2099.45 g/mol
LogP39.88
Rot. Bonds12

About 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

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 (PubChem CID 159244859) has the molecular formula C150H87N15 and a molecular weight of 2099.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159244859
Molecular FormulaC150H87N15
Molecular Weight2099.45 g/mol
Exact Mass2097.73
IUPAC Name3-(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
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)ccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/3C50H29N5/c1-51-33-28-29-45-39(31-33)37-18-5-7-21-41(37)53(45)34-15-11-14-32(30-34)49-40(52-2)20-12-25-46(49)55-44-24-10-6-19-38(44)50-47(26-13-27-48(50)55)54-42-22-8-3-16-35(42)36-17-4-9-23-43(36)54;1-52-34-25-27-46-41(30-34)39-16-4-6-18-42(39)53(46)35-13-10-12-33(29-35)36-26-24-32(31-51)28-49(36)55-45-21-9-5-17-40(45)50-47(22-11-23-48(50)55)54-43-19-7-2-14-37(43)38-15-3-8-20-44(38)54;1-52-34-25-27-47-41(30-34)38-16-4-6-18-42(38)53(47)35-13-10-12-33(29-35)40-28-32(31-51)24-26-46(40)55-45-21-9-5-17-39(45)50-48(22-11-23-49(50)55)54-43-19-7-2-14-36(43)37-15-3-8-20-44(37)54/h3-31H;2*2-30H
InChIKeyKUOAUOZGADWJDL-UHFFFAOYSA-N
XLogP39.88
TPSA109.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.45
LogP ≤ 539.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[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-[5-isocyano-2-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603678
2-(4-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(4-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;4-carbazol-9-yl-9-[3-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[4-isocyano-2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158148881
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
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-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155604610
9-[5-isocyano-2-[3-[3-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603946
9-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
9-[3-[3-[4-isocyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604708
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(C#N)ccc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(C#N)cc2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.
What is the InChIKey of 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?
The InChIKey is KUOAUOZGADWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H29N5/c1-51-33-28-29-45-39(31-33)37-18-5-7-21-41(37)53(45)34-15-11-14-32(30-34)49-40(52-2)20-12-25-46(49)55-44-24-10-6-19-38(44)50-47(26-13-27-48(50)55)54-42-22-8-3-16-35(42)36-17-4-9-23-43(36)54;1-52-34-25-27-46-41(30-34)39-16-4-6-18-42(39)53(46)35-13-10-12-33(29-35)36-26-24-32(31-51)28-49(36)55-45-21-9-5-17-40(45)50-47(22-11-23-48(50)55)54-43-19-7-2-14-37(43)38-15-3-8-20-44(38)54;1-52-34-25-27-47-41(30-34)38-16-4-6-18-42(38)53(47)35-13-10-12-33(29-35)40-28-32(31-51)24-26-46(40)55-45-21-9-5-17-39(45)50-48(22-11-23-49(50)55)54-43-19-7-2-14-36(43)37-15-3-8-20-44(37)54/h3-31H;2*2-30H.
What are the key properties of 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?
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 has a molecular weight of 2099.45 g/mol, XLogP of 39.88, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159244859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).