3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

C43H26FIN3- — CID 147853165

IUPAC3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2cc([I-]F)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H26FIN3/c44-45-33-22-32(31-20-28(27-46)21-34(23-31)47-40-15-7-4-12-36(40)37-13-5-8-16-41(37)47)24-35(26-33)48-42-17-9-6-14-38(42)39-25-30(18-19-43(39)48)29-10-2-1-3-11-29/h1-26H/q-1
InChIKeyPSKWRRUAIZLRKV-UHFFFAOYSA-N
MW730.60 g/mol
LogP8.23
Rot. Bonds5

About 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile

3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 147853165) has the molecular formula C43H26FIN3- and a molecular weight of 730.60 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID147853165
Molecular FormulaC43H26FIN3-
Molecular Weight730.60 g/mol
Exact Mass730.12
IUPAC Name3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2cc([I-]F)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H26FIN3/c44-45-33-22-32(31-20-28(27-46)21-34(23-31)47-40-15-7-4-12-36(40)37-13-5-8-16-41(37)47)24-35(26-33)48-42-17-9-6-14-38(42)39-25-30(18-19-43(39)48)29-10-2-1-3-11-29/h1-26H/q-1
InChIKeyPSKWRRUAIZLRKV-UHFFFAOYSA-N
XLogP8.23
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.60
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 147714772
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile (CID 147853165) is 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1cc(-c2cc([I-]F)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is PSKWRRUAIZLRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26FIN3/c44-45-33-22-32(31-20-28(27-46)21-34(23-31)47-40-15-7-4-12-36(40)37-13-5-8-16-41(37)47)24-35(26-33)48-42-17-9-6-14-38(42)39-25-30(18-19-43(39)48)29-10-2-1-3-11-29/h1-26H/q-1.
What are the key properties of 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile?
3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 730.60 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 147853165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).