3,6-dibromo-9-fluoranthen-2-ylcarbazole

C28H15Br2N — CID 175609532

IUPAC3,6-dibromo-9-fluoranthen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C28H15Br2N/c29-17-8-10-26-23(13-17)24-14-18(30)9-11-27(24)31(26)19-12-16-4-3-7-22-20-5-1-2-6-21(20)25(15-19)28(16)22/h1-15H
InChIKeyKPAQFEWUYAWDDE-UHFFFAOYSA-N
MW525.24 g/mol
LogP9.11
Rot. Bonds1

About 3,6-dibromo-9-fluoranthen-2-ylcarbazole

3,6-dibromo-9-fluoranthen-2-ylcarbazole (PubChem CID 175609532) has the molecular formula C28H15Br2N and a molecular weight of 525.24 g/mol. Its IUPAC name is 3,6-dibromo-9-fluoranthen-2-ylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-fluoranthen-2-ylcarbazole
PubChem CID175609532
Molecular FormulaC28H15Br2N
Molecular Weight525.24 g/mol
Exact Mass522.96
IUPAC Name3,6-dibromo-9-fluoranthen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C28H15Br2N/c29-17-8-10-26-23(13-17)24-14-18(30)9-11-27(24)31(26)19-12-16-4-3-7-22-20-5-1-2-6-21(20)25(15-19)28(16)22/h1-15H
InChIKeyKPAQFEWUYAWDDE-UHFFFAOYSA-N
XLogP9.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.24
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
CID 130295208
3-bromo-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 118087817
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
CID 118087614
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
6-fluoranthen-2-yl-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130295347
15-fluoranthen-2-yl-24-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678003
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-fluoranthen-2-ylcarbazole?
The IUPAC name of 3,6-dibromo-9-fluoranthen-2-ylcarbazole (CID 175609532) is 3,6-dibromo-9-fluoranthen-2-ylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-fluoranthen-2-ylcarbazole?
The canonical SMILES for 3,6-dibromo-9-fluoranthen-2-ylcarbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1cc2c3c(cccc3c1)-c1ccccc1-2.
What is the InChIKey of 3,6-dibromo-9-fluoranthen-2-ylcarbazole?
The InChIKey is KPAQFEWUYAWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15Br2N/c29-17-8-10-26-23(13-17)24-14-18(30)9-11-27(24)31(26)19-12-16-4-3-7-22-20-5-1-2-6-21(20)25(15-19)28(16)22/h1-15H.
What are the key properties of 3,6-dibromo-9-fluoranthen-2-ylcarbazole?
3,6-dibromo-9-fluoranthen-2-ylcarbazole has a molecular weight of 525.24 g/mol, XLogP of 9.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-fluoranthen-2-ylcarbazole is sourced from PubChem (CID 175609532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).