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

C136H82F2N12 — CID 160805583

IUPAC4-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
SMILES[C-]#[N+]c1ccccc1-n1c2cc(F)ccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2cccc(F)c2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc21
InChIInChI=1S/2C37H23N3.2C31H18FN3/c1-38-29-18-7-10-21-32(29)39-31-20-9-6-16-28(31)37-34(39)23-12-24-35(37)40-30-19-8-5-15-27(30)36-26(17-11-22-33(36)40)25-13-3-2-4-14-25;1-38-30-16-7-10-19-33(30)39-32-18-9-6-15-29(32)37-34(39)20-11-21-35(37)40-31-17-8-5-14-27(31)28-23-22-26(24-36(28)40)25-12-3-2-4-13-25;1-33-23-13-4-7-16-26(23)35-27-17-8-12-22(32)30(27)31-28(18-9-19-29(31)35)34-24-14-5-2-10-20(24)21-11-3-6-15-25(21)34;1-33-24-11-4-7-14-27(24)35-29-16-8-15-28(31(29)23-18-17-20(32)19-30(23)35)34-25-12-5-2-9-21(25)22-10-3-6-13-26(22)34/h2*2-24H;2*2-19H
InChIKeySDQHZMAUHJHQJU-UHFFFAOYSA-N
MW1922.23 g/mol
LogP37.34
Rot. Bonds10

About 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

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 (PubChem CID 160805583) has the molecular formula C136H82F2N12 and a molecular weight of 1922.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160805583
Molecular FormulaC136H82F2N12
Molecular Weight1922.23 g/mol
Exact Mass1920.68
IUPAC Name4-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
SMILES[C-]#[N+]c1ccccc1-n1c2cc(F)ccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2cccc(F)c2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc21
InChIInChI=1S/2C37H23N3.2C31H18FN3/c1-38-29-18-7-10-21-32(29)39-31-20-9-6-16-28(31)37-34(39)23-12-24-35(37)40-30-19-8-5-15-27(30)36-26(17-11-22-33(36)40)25-13-3-2-4-14-25;1-38-30-16-7-10-19-33(30)39-32-18-9-6-15-29(32)37-34(39)20-11-21-35(37)40-31-17-8-5-14-27(31)28-23-22-26(24-36(28)40)25-12-3-2-4-13-25;1-33-23-13-4-7-16-26(23)35-27-17-8-12-22(32)30(27)31-28(18-9-19-29(31)35)34-24-14-5-2-10-20(24)21-11-3-6-15-25(21)34;1-33-24-11-4-7-14-27(24)35-29-16-8-15-28(31(29)23-18-17-20(32)19-30(23)35)34-25-12-5-2-9-21(25)22-10-3-6-13-26(22)34/h2*2-24H;2*2-19H
InChIKeySDQHZMAUHJHQJU-UHFFFAOYSA-N
XLogP37.34
TPSA56.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.23
LogP ≤ 537.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-fluoro-9-[9-(2-isocyanophenyl)carbazol-4-yl]carbazole
CID 140760231
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
CID 140760353
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
4-(4-chlorophenyl)-9-(2,4-diphenylphenyl)carbazole
CID 167454715

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccccc1-n1c2cc(F)ccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2cccc(F)c2c2c(-n3c4ccccc4c4ccccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)cccc21.[C-]#[N+]c1ccccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc21.
What is the InChIKey of 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?
The InChIKey is SDQHZMAUHJHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H23N3.2C31H18FN3/c1-38-29-18-7-10-21-32(29)39-31-20-9-6-16-28(31)37-34(39)23-12-24-35(37)40-30-19-8-5-15-27(30)36-26(17-11-22-33(36)40)25-13-3-2-4-14-25;1-38-30-16-7-10-19-33(30)39-32-18-9-6-15-29(32)37-34(39)20-11-21-35(37)40-31-17-8-5-14-27(31)28-23-22-26(24-36(28)40)25-12-3-2-4-13-25;1-33-23-13-4-7-16-26(23)35-27-17-8-12-22(32)30(27)31-28(18-9-19-29(31)35)34-24-14-5-2-10-20(24)21-11-3-6-15-25(21)34;1-33-24-11-4-7-14-27(24)35-29-16-8-15-28(31(29)23-18-17-20(32)19-30(23)35)34-25-12-5-2-9-21(25)22-10-3-6-13-26(22)34/h2*2-24H;2*2-19H.
What are the key properties of 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?
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 has a molecular weight of 1922.23 g/mol, XLogP of 37.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160805583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).