9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole

C33H20BrN5O — CID 58609370

IUPAC9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
SMILESBrc1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C33H20BrN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H
InChIKeyIJADHZGHWALUIM-UHFFFAOYSA-N
MW582.46 g/mol
LogP8.62
Rot. Bonds4

About 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole

9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole (PubChem CID 58609370) has the molecular formula C33H20BrN5O and a molecular weight of 582.46 g/mol. Its IUPAC name is 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
PubChem CID58609370
Molecular FormulaC33H20BrN5O
Molecular Weight582.46 g/mol
Exact Mass581.09
IUPAC Name9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
SMILESBrc1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C33H20BrN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H
InChIKeyIJADHZGHWALUIM-UHFFFAOYSA-N
XLogP8.62
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.46
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole (CID 58609370) is 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole is Brc1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IJADHZGHWALUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H.
What are the key properties of 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole?
9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 582.46 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-bromophenoxy)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 58609370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).