3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C36H23BrN2 — CID 70661112

IUPAC3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H23BrN2/c37-26-17-20-36-32(23-26)31-22-25(16-19-35(31)39(36)28-11-5-2-6-12-28)24-15-18-34-30(21-24)29-13-7-8-14-33(29)38(34)27-9-3-1-4-10-27/h1-23H
InChIKeyLCJYRCMTHQJILZ-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.31
Rot. Bonds3

About 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 70661112) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID70661112
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H23BrN2/c37-26-17-20-36-32(23-26)31-22-25(16-19-35(31)39(36)28-11-5-2-6-12-28)24-15-18-34-30(21-24)29-13-7-8-14-33(29)38(34)27-9-3-1-4-10-27/h1-23H
InChIKeyLCJYRCMTHQJILZ-UHFFFAOYSA-N
XLogP10.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 70661112) is 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is Brc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is LCJYRCMTHQJILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-26-17-20-36-32(23-26)31-22-25(16-19-35(31)39(36)28-11-5-2-6-12-28)24-15-18-34-30(21-24)29-13-7-8-14-33(29)38(34)27-9-3-1-4-10-27/h1-23H.
What are the key properties of 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 563.50 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 70661112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).