9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole

C34H22N4O — CID 86688852

IUPAC9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)nc1
InChIInChI=1S/C34H22N4O/c1-3-11-29-25(9-1)27-17-15-23(21-31(27)37(29)33-13-5-7-19-35-33)39-24-16-18-28-26-10-2-4-12-30(26)38(32(28)22-24)34-14-6-8-20-36-34/h1-22H
InChIKeyQYHYSXSNXUXGDA-UHFFFAOYSA-N
MW502.58 g/mol
LogP8.46
Rot. Bonds4

About 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole

9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole (PubChem CID 86688852) has the molecular formula C34H22N4O and a molecular weight of 502.58 g/mol. Its IUPAC name is 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole
PubChem CID86688852
Molecular FormulaC34H22N4O
Molecular Weight502.58 g/mol
Exact Mass502.18
IUPAC Name9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)nc1
InChIInChI=1S/C34H22N4O/c1-3-11-29-25(9-1)27-17-15-23(21-31(27)37(29)33-13-5-7-19-35-33)39-24-16-18-28-26-10-2-4-12-30(26)38(32(28)22-24)34-14-6-8-20-36-34/h1-22H
InChIKeyQYHYSXSNXUXGDA-UHFFFAOYSA-N
XLogP8.46
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole?
The IUPAC name of 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole (CID 86688852) is 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole.
What is the SMILES notation for 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole?
The canonical SMILES for 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole is c1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)nc1.
What is the InChIKey of 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole?
The InChIKey is QYHYSXSNXUXGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O/c1-3-11-29-25(9-1)27-17-15-23(21-31(27)37(29)33-13-5-7-19-35-33)39-24-16-18-28-26-10-2-4-12-30(26)38(32(28)22-24)34-14-6-8-20-36-34/h1-22H.
What are the key properties of 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole?
9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole has a molecular weight of 502.58 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxycarbazole is sourced from PubChem (CID 86688852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).