1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol

C27H18Br4N2O — CID 46851046

IUPAC1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C27H18Br4N2O/c28-15-1-5-24-20(9-15)21-10-16(29)2-6-25(21)32(24)13-19(34)14-33-26-7-3-17(30)11-22(26)23-12-18(31)4-8-27(23)33/h1-12,19,34H,13-14H2
InChIKeyGGGKOOBBMDTVNI-UHFFFAOYSA-N
MW706.07 g/mol
LogP9.01
Rot. Bonds4

About 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol

1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 46851046) has the molecular formula C27H18Br4N2O and a molecular weight of 706.07 g/mol. Its IUPAC name is 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID46851046
Molecular FormulaC27H18Br4N2O
Molecular Weight706.07 g/mol
Exact Mass701.82
IUPAC Name1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C27H18Br4N2O/c28-15-1-5-24-20(9-15)21-10-16(29)2-6-25(21)32(24)13-19(34)14-33-26-7-3-17(30)11-22(26)23-12-18(31)4-8-27(23)33/h1-12,19,34H,13-14H2
InChIKeyGGGKOOBBMDTVNI-UHFFFAOYSA-N
XLogP9.01
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.07
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 46851046) is 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is GGGKOOBBMDTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Br4N2O/c28-15-1-5-24-20(9-15)21-10-16(29)2-6-25(21)32(24)13-19(34)14-33-26-7-3-17(30)11-22(26)23-12-18(31)4-8-27(23)33/h1-12,19,34H,13-14H2.
What are the key properties of 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol?
1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 706.07 g/mol, XLogP of 9.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 46851046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).