3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole

C36H22Br2N2 — CID 131852839

IUPAC3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H
InChIKeyVTIPHPNQFUCDAW-UHFFFAOYSA-N
MW642.39 g/mol
LogP11.07
Rot. Bonds3

About 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole

3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 131852839) has the molecular formula C36H22Br2N2 and a molecular weight of 642.39 g/mol. Its IUPAC name is 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID131852839
Molecular FormulaC36H22Br2N2
Molecular Weight642.39 g/mol
Exact Mass640.01
IUPAC Name3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H
InChIKeyVTIPHPNQFUCDAW-UHFFFAOYSA-N
XLogP11.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.39
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole (CID 131852839) is 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole is Brc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is VTIPHPNQFUCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H.
What are the key properties of 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole?
3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 642.39 g/mol, XLogP of 11.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 131852839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).