2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

C222H132N22 — CID 159576933

IUPAC2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-c2ccccc2)c1C#N.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/2C50H29N5.C44H26N4.2C39H24N4/c1-52-42-26-28-48(50(41(42)31-51)55-45-21-11-6-15-35(45)36-16-7-12-22-46(36)55)54-44-20-10-8-18-38(44)40-29-32(24-27-47(40)54)33-23-25-39-37-17-5-9-19-43(37)53(49(39)30-33)34-13-3-2-4-14-34;1-52-34-28-33(31-51)50(48(30-34)54-43-22-10-6-16-37(43)38-17-7-11-23-44(38)54)55-45-24-12-8-19-41(45)49-36(20-13-25-46(49)55)32-26-27-40-39-18-5-9-21-42(39)53(47(40)29-32)35-14-3-2-4-15-35;1-46-38-23-25-42(44(37(38)28-45)29-12-4-2-5-13-29)48-40-19-11-9-17-34(40)36-26-30(21-24-41(36)48)31-20-22-35-33-16-8-10-18-39(33)47(43(35)27-31)32-14-6-3-7-15-32;2*1-25-21-28(41-2)22-27(24-40)39(25)43-35-17-9-7-14-33(35)38-30(15-10-18-36(38)43)26-19-20-32-31-13-6-8-16-34(31)42(37(32)23-26)29-11-4-3-5-12-29/h2*2-30H;2-27H;2*3-23H,1H3
InChIKeyMINIUHIVUHEERQ-UHFFFAOYSA-N
MW3107.65 g/mol
LogP58.33
Rot. Bonds18

About 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile

2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 159576933) has the molecular formula C222H132N22 and a molecular weight of 3107.65 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
PubChem CID159576933
Molecular FormulaC222H132N22
Molecular Weight3107.65 g/mol
Exact Mass3105.10
IUPAC Name2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-c2ccccc2)c1C#N.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/2C50H29N5.C44H26N4.2C39H24N4/c1-52-42-26-28-48(50(41(42)31-51)55-45-21-11-6-15-35(45)36-16-7-12-22-46(36)55)54-44-20-10-8-18-38(44)40-29-32(24-27-47(40)54)33-23-25-39-37-17-5-9-19-43(37)53(49(39)30-33)34-13-3-2-4-14-34;1-52-34-28-33(31-51)50(48(30-34)54-43-22-10-6-16-37(43)38-17-7-11-23-44(38)54)55-45-24-12-8-19-41(45)49-36(20-13-25-46(49)55)32-26-27-40-39-18-5-9-21-42(39)53(47(40)29-32)35-14-3-2-4-15-35;1-46-38-23-25-42(44(37(38)28-45)29-12-4-2-5-13-29)48-40-19-11-9-17-34(40)36-26-30(21-24-41(36)48)31-20-22-35-33-16-8-10-18-39(33)47(43(35)27-31)32-14-6-3-7-15-32;2*1-25-21-28(41-2)22-27(24-40)39(25)43-35-17-9-7-14-33(35)38-30(15-10-18-36(38)43)26-19-20-32-31-13-6-8-16-34(31)42(37(32)23-26)29-11-4-3-5-12-29/h2*2-30H;2-27H;2*3-23H,1H3
InChIKeyMINIUHIVUHEERQ-UHFFFAOYSA-N
XLogP58.33
TPSA199.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003107.65
LogP ≤ 558.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576934
2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
CID 158635071
2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 160811833
3-tert-butyl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159380122
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
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 157086420
2-isocyano-4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]benzonitrile
CID 161165462
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-isocyanobenzonitrile
CID 161076684
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628167
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-7-(3-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628103

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile (CID 159576933) is 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is [C-]#[N+]c1cc(C#N)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1cc(C)c(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-c2ccccc2)c1C#N.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is MINIUHIVUHEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H29N5.C44H26N4.2C39H24N4/c1-52-42-26-28-48(50(41(42)31-51)55-45-21-11-6-15-35(45)36-16-7-12-22-46(36)55)54-44-20-10-8-18-38(44)40-29-32(24-27-47(40)54)33-23-25-39-37-17-5-9-19-43(37)53(49(39)30-33)34-13-3-2-4-14-34;1-52-34-28-33(31-51)50(48(30-34)54-43-22-10-6-16-37(43)38-17-7-11-23-44(38)54)55-45-24-12-8-19-41(45)49-36(20-13-25-46(49)55)32-26-27-40-39-18-5-9-21-42(39)53(47(40)29-32)35-14-3-2-4-15-35;1-46-38-23-25-42(44(37(38)28-45)29-12-4-2-5-13-29)48-40-19-11-9-17-34(40)36-26-30(21-24-41(36)48)31-20-22-35-33-16-8-10-18-39(33)47(43(35)27-31)32-14-6-3-7-15-32;2*1-25-21-28(41-2)22-27(24-40)39(25)43-35-17-9-7-14-33(35)38-30(15-10-18-36(38)43)26-19-20-32-31-13-6-8-16-34(31)42(37(32)23-26)29-11-4-3-5-12-29/h2*2-30H;2-27H;2*3-23H,1H3.
What are the key properties of 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile?
2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 3107.65 g/mol, XLogP of 58.33, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 159576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).