4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

C64H34N8 — CID 132915570

IUPAC4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(C#N)cc4C#N)cccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H34N8/c65-35-39-31-41(37-67)61(33-59(39)69-51-23-7-1-15-43(51)44-16-2-8-24-52(44)69)71-55-27-11-5-19-49(55)63-47(21-13-29-57(63)71)48-22-14-30-58-64(48)50-20-6-12-28-56(50)72(58)62-34-60(40(36-66)32-42(62)38-68)70-53-25-9-3-17-45(53)46-18-4-10-26-54(46)70/h1-34H
InChIKeyYZEFYFAJCMIJBE-UHFFFAOYSA-N
MW915.03 g/mol
LogP15.23
Rot. Bonds5

About 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile

4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 132915570) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID132915570
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(C#N)cc4C#N)cccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H34N8/c65-35-39-31-41(37-67)61(33-59(39)69-51-23-7-1-15-43(51)44-16-2-8-24-52(44)69)71-55-27-11-5-19-49(55)63-47(21-13-29-57(63)71)48-22-14-30-58-64(48)50-20-6-12-28-56(50)72(58)62-34-60(40(36-66)32-42(62)38-68)70-53-25-9-3-17-45(53)46-18-4-10-26-54(46)70/h1-34H
InChIKeyYZEFYFAJCMIJBE-UHFFFAOYSA-N
XLogP15.23
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-bis(3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-3-yl)benzene-1,3-dicarbonitrile
CID 121329293
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2,5-bis[4-(2-phenylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296418
4,5,6-tri(carbazol-9-yl)-2-[4-[9-(2-carbazol-9-yl-4,5-dicyanophenyl)carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 130193086
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958337
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
2-[4-[9-(4-cyanophenyl)carbazol-1-yl]carbazol-9-yl]benzonitrile
CID 139351874
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile (CID 132915570) is 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4cc(-n5c6ccccc6c6ccccc65)c(C#N)cc4C#N)cccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is YZEFYFAJCMIJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-35-39-31-41(37-67)61(33-59(39)69-51-23-7-1-15-43(51)44-16-2-8-24-52(44)69)71-55-27-11-5-19-49(55)63-47(21-13-29-57(63)71)48-22-14-30-58-64(48)50-20-6-12-28-56(50)72(58)62-34-60(40(36-66)32-42(62)38-68)70-53-25-9-3-17-45(53)46-18-4-10-26-54(46)70/h1-34H.
What are the key properties of 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile?
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 915.03 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 132915570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).