9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole

C33H27N3 — CID 155676264

IUPAC9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cccc(-n4c5cc(C)ccc5c5ccc(C)cc54)n3)c2c1
InChIInChI=1S/C33H27N3/c1-20-8-12-24-25-13-9-21(2)17-29(25)35(28(24)16-20)32-6-5-7-33(34-32)36-30-18-22(3)10-14-26(30)27-15-11-23(4)19-31(27)36/h5-19H,1-4H3
InChIKeyUHJWHKMLYZHDBI-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.51
Rot. Bonds2

About 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole

9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole (PubChem CID 155676264) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole.

Molecular Properties

Compound Name9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole
PubChem CID155676264
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole
SMILESCc1ccc2c3ccc(C)cc3n(-c3cccc(-n4c5cc(C)ccc5c5ccc(C)cc54)n3)c2c1
InChIInChI=1S/C33H27N3/c1-20-8-12-24-25-13-9-21(2)17-29(25)35(28(24)16-20)32-6-5-7-33(34-32)36-30-18-22(3)10-14-26(30)27-15-11-23(4)19-31(27)36/h5-19H,1-4H3
InChIKeyUHJWHKMLYZHDBI-UHFFFAOYSA-N
XLogP8.51
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole?
The IUPAC name of 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole (CID 155676264) is 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole.
What is the SMILES notation for 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole?
The canonical SMILES for 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole is Cc1ccc2c3ccc(C)cc3n(-c3cccc(-n4c5cc(C)ccc5c5ccc(C)cc54)n3)c2c1.
What is the InChIKey of 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole?
The InChIKey is UHJWHKMLYZHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3/c1-20-8-12-24-25-13-9-21(2)17-29(25)35(28(24)16-20)32-6-5-7-33(34-32)36-30-18-22(3)10-14-26(30)27-15-11-23(4)19-31(27)36/h5-19H,1-4H3.
What are the key properties of 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole?
9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole has a molecular weight of 465.60 g/mol, XLogP of 8.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2,7-dimethylcarbazol-9-yl)-2-pyridinyl]-2,7-dimethylcarbazole is sourced from PubChem (CID 155676264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).