3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

C64H34N8 — CID 153455519

IUPAC3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccncc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/C64H34N8/c1-68-57-17-9-7-15-49(57)43-22-27-60-54(34-43)52-32-41(47-13-5-3-11-45(47)37-66)20-25-59(52)71(60)63-29-30-70-39-56(63)51-24-19-40(36-65)31-64(51)72-61-26-21-42(48-14-6-4-12-46(48)38-67)33-53(61)55-35-44(23-28-62(55)72)50-16-8-10-18-58(50)69-2/h3-35,39H
InChIKeyKXKMATWAYXBLQC-UHFFFAOYSA-N
MW915.03 g/mol
LogP16.33
Rot. Bonds7

About 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 153455519) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
PubChem CID153455519
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccncc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/C64H34N8/c1-68-57-17-9-7-15-49(57)43-22-27-60-54(34-43)52-32-41(47-13-5-3-11-45(47)37-66)20-25-59(52)71(60)63-29-30-70-39-56(63)51-24-19-40(36-65)31-64(51)72-61-26-21-42(48-14-6-4-12-46(48)38-67)33-53(61)55-35-44(23-28-62(55)72)50-16-8-10-18-58(50)69-2/h3-35,39H
InChIKeyKXKMATWAYXBLQC-UHFFFAOYSA-N
XLogP16.33
TPSA102.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 158163428
2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 140846580
2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 155761229
3-[9-[4-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 159348703
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
9-[3-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole-3,6-dicarbonitrile
CID 156679371
3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603206
4-[3-[4-cyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 161491172
2-[3-cyano-4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171739757
3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495034

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 153455519) is 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is [C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccncc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.
What is the InChIKey of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The InChIKey is KXKMATWAYXBLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c1-68-57-17-9-7-15-49(57)43-22-27-60-54(34-43)52-32-41(47-13-5-3-11-45(47)37-66)20-25-59(52)71(60)63-29-30-70-39-56(63)51-24-19-40(36-65)31-64(51)72-61-26-21-42(48-14-6-4-12-46(48)38-67)33-53(61)55-35-44(23-28-62(55)72)50-16-8-10-18-58(50)69-2/h3-35,39H.
What are the key properties of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile has a molecular weight of 915.03 g/mol, XLogP of 16.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 153455519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).