2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole

C31H18FN3 — CID 140760231

IUPAC2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(F)cc43)cccc21
InChIInChI=1S/C31H18FN3/c1-33-24-11-4-7-14-27(24)34-26-13-6-3-10-23(26)31-28(34)15-8-16-29(31)35-25-12-5-2-9-21(25)22-18-17-20(32)19-30(22)35/h2-19H
InChIKeyPMADKFNZUGUTBO-UHFFFAOYSA-N
MW451.50 g/mol
LogP8.57
Rot. Bonds2

About 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole

2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole (PubChem CID 140760231) has the molecular formula C31H18FN3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole
PubChem CID140760231
Molecular FormulaC31H18FN3
Molecular Weight451.50 g/mol
Exact Mass451.15
IUPAC Name2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole
SMILES[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(F)cc43)cccc21
InChIInChI=1S/C31H18FN3/c1-33-24-11-4-7-14-27(24)34-26-13-6-3-10-23(26)31-28(34)15-8-16-29(31)35-25-12-5-2-9-21(25)22-18-17-20(32)19-30(22)35/h2-19H
InChIKeyPMADKFNZUGUTBO-UHFFFAOYSA-N
XLogP8.57
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-carbazol-9-yl-5-fluoro-9-(2-isocyanophenyl)carbazole;5-carbazol-9-yl-2-fluoro-9-(2-isocyanophenyl)carbazole;9-(2-isocyanophenyl)-4-(2-phenylcarbazol-9-yl)carbazole;9-(2-isocyanophenyl)-4-(4-phenylcarbazol-9-yl)carbazole
CID 160805583
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
3-carbazol-9-yl-9-(2-isocyanophenyl)-5-phenylcarbazole;6-carbazol-9-yl-9-(2-isocyanophenyl)-2-phenylcarbazole;2-(4-fluorocarbazol-9-yl)-9-(2-isocyanophenyl)carbazole;2-fluoro-9-[9-(2-isocyanophenyl)carbazol-2-yl]carbazole;9-(2-isocyanophenyl)-2-(4-phenylcarbazol-9-yl)carbazole
CID 158350141
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
CID 140760353
5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole
CID 140760237
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole
CID 140820496
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
1-[9-(2-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole
CID 140759923
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422791
9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile;9-[4-[2-(4-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]carbazole-2-carbonitrile
CID 160900211

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole?
The IUPAC name of 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole (CID 140760231) is 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole is [C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(F)cc43)cccc21.
What is the InChIKey of 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole?
The InChIKey is PMADKFNZUGUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18FN3/c1-33-24-11-4-7-14-27(24)34-26-13-6-3-10-23(26)31-28(34)15-8-16-29(31)35-25-12-5-2-9-21(25)22-18-17-20(32)19-30(22)35/h2-19H.
What are the key properties of 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole?
2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole has a molecular weight of 451.50 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 140760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).