3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole

C46H28BrFN2 — CID 145133684

IUPAC3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(Br)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C46H28BrFN2/c47-35-24-33(31-14-21-45-41(27-31)39-9-3-5-11-43(39)49(45)37-19-16-36(48)17-20-37)23-34(25-35)32-15-22-46-42(28-32)40-10-4-6-12-44(40)50(46)38-18-13-29-7-1-2-8-30(29)26-38/h1-28H
InChIKeyAIXRCFXJZRDHMP-UHFFFAOYSA-N
MW707.65 g/mol
LogP13.27
Rot. Bonds4

About 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole

3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole (PubChem CID 145133684) has the molecular formula C46H28BrFN2 and a molecular weight of 707.65 g/mol. Its IUPAC name is 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
PubChem CID145133684
Molecular FormulaC46H28BrFN2
Molecular Weight707.65 g/mol
Exact Mass706.14
IUPAC Name3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(Br)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C46H28BrFN2/c47-35-24-33(31-14-21-45-41(27-31)39-9-3-5-11-43(39)49(45)37-19-16-36(48)17-20-37)23-34(25-35)32-15-22-46-42(28-32)40-10-4-6-12-44(40)50(46)38-18-13-29-7-1-2-8-30(29)26-38/h1-28H
InChIKeyAIXRCFXJZRDHMP-UHFFFAOYSA-N
XLogP13.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.65
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
3,5-(Di-9-Carbazolyl)Bromobenzene
CID 59770826
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634
3-(4-Bromophenyl)-9-phenylcarbazole
CID 51358293
3-Bromo-6,9-diphenylcarbazole
CID 57746295
10-Bromo-7H-benzo[c]carbazole
CID 68016353
3-Bromo-9-(2-naphthyl)carbazole
CID 68358431
3-[9-[(3-bromo-5-fluorophenyl)methyl]-6-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbazol-3-yl]-N'-hydroxybenzenecarboximidamide
CID 164614843

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole (CID 145133684) is 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4cc(Br)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The InChIKey is AIXRCFXJZRDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28BrFN2/c47-35-24-33(31-14-21-45-41(27-31)39-9-3-5-11-43(39)49(45)37-19-16-36(48)17-20-37)23-34(25-35)32-15-22-46-42(28-32)40-10-4-6-12-44(40)50(46)38-18-13-29-7-1-2-8-30(29)26-38/h1-28H.
What are the key properties of 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole has a molecular weight of 707.65 g/mol, XLogP of 13.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 145133684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).