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

C64H34N8 — CID 153455511

IUPAC3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/C64H34N8/c1-68-55-20-9-7-18-49(55)42-26-30-58-53(35-42)51-33-40(47-16-5-3-13-44(47)37-65)24-28-57(51)71(58)61-22-11-15-46(39-67)63(61)64-62(23-12-32-70-64)72-59-29-25-41(48-17-6-4-14-45(48)38-66)34-52(59)54-36-43(27-31-60(54)72)50-19-8-10-21-56(50)69-2/h3-36H
InChIKeyRKYNTCWFTLQMLI-UHFFFAOYSA-N
MW915.03 g/mol
LogP16.33
Rot. Bonds7

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

3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 153455511) 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]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID153455511
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21
InChIInChI=1S/C64H34N8/c1-68-55-20-9-7-18-49(55)42-26-30-58-53(35-42)51-33-40(47-16-5-3-13-44(47)37-65)24-28-57(51)71(58)61-22-11-15-46(39-67)63(61)64-62(23-12-32-70-64)72-59-29-25-41(48-17-6-4-14-45(48)38-66)34-52(59)54-36-43(27-31-60(54)72)50-19-8-10-21-56(50)69-2/h3-36H
InChIKeyRKYNTCWFTLQMLI-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]-2-[3-[3-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495063
3-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455433
4-[9-[2-[2-cyano-6-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153455460
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]phenyl]carbazol-3-yl]benzonitrile
CID 156679481
2-[3-[3-(4-cyanophenyl)carbazol-9-yl]-2-pyridinyl]-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153455468
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-[3-cyano-4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171739757
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
2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 155761279
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 162119979
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495144
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 153455511) is 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is [C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cccnc1-c1c(C#N)cccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.
What is the InChIKey of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is RKYNTCWFTLQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c1-68-55-20-9-7-18-49(55)42-26-30-58-53(35-42)51-33-40(47-16-5-3-13-44(47)37-65)24-28-57(51)71(58)61-22-11-15-46(39-67)63(61)64-62(23-12-32-70-64)72-59-29-25-41(48-17-6-4-14-45(48)38-66)34-52(59)54-36-43(27-31-60(54)72)50-19-8-10-21-56(50)69-2/h3-36H.
What are the key properties of 3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-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]-2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 153455511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).