4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile

C44H28N4 — CID 155085675

IUPAC4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile
SMILESN#CC1=CC(n2c3ccccc3c3ccccc32)=C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)CC1C#N
InChIInChI=1S/C44H28N4/c45-27-32-25-39(44(26-33(32)28-46)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-11-9-10-30(24-31)29-20-22-34(23-21-29)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-24,26,32H,25H2
InChIKeyVLENNGPKXNGVJY-UHFFFAOYSA-N
MW612.74 g/mol
LogP10.92
Rot. Bonds4

About 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile

4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile (PubChem CID 155085675) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile
PubChem CID155085675
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile
SMILESN#CC1=CC(n2c3ccccc3c3ccccc32)=C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)CC1C#N
InChIInChI=1S/C44H28N4/c45-27-32-25-39(44(26-33(32)28-46)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-11-9-10-30(24-31)29-20-22-34(23-21-29)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-24,26,32H,25H2
InChIKeyVLENNGPKXNGVJY-UHFFFAOYSA-N
XLogP10.92
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-[4-[4-[4-[3-[4-[4,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 58943409
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-[4-[3-[3-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58943500
9-[4-[2-(4-carbazol-9-ylphenyl)-4-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943813
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile (CID 155085675) is 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile is N#CC1=CC(n2c3ccccc3c3ccccc32)=C(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)CC1C#N.
What is the InChIKey of 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile?
The InChIKey is VLENNGPKXNGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c45-27-32-25-39(44(26-33(32)28-46)48-42-18-7-3-14-37(42)38-15-4-8-19-43(38)48)31-11-9-10-30(24-31)29-20-22-34(23-21-29)47-40-16-5-1-12-35(40)36-13-2-6-17-41(36)47/h1-24,26,32H,25H2.
What are the key properties of 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile?
4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile has a molecular weight of 612.74 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)phenyl]cyclohexa-2,4-diene-1,2-dicarbonitrile is sourced from PubChem (CID 155085675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).