2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol

C29H20N2O — CID 141226515

IUPAC2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
SMILESOc1ccccc1-c1c(-c2ccccn2)cccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H20N2O/c32-27-17-4-2-10-24(27)28-20(11-7-14-23(28)25-15-5-6-18-30-25)22-13-8-12-21-19-9-1-3-16-26(19)31-29(21)22/h1-18,31-32H
InChIKeyNPSZVZSCEDYVIT-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.42
Rot. Bonds3

About 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol

2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol (PubChem CID 141226515) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
PubChem CID141226515
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
SMILESOc1ccccc1-c1c(-c2ccccn2)cccc1-c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C29H20N2O/c32-27-17-4-2-10-24(27)28-20(11-7-14-23(28)25-15-5-6-18-30-25)22-13-8-12-21-19-9-1-3-16-26(19)31-29(21)22/h1-18,31-32H
InChIKeyNPSZVZSCEDYVIT-UHFFFAOYSA-N
XLogP7.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol (CID 141226515) is 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol is Oc1ccccc1-c1c(-c2ccccn2)cccc1-c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
The InChIKey is NPSZVZSCEDYVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c32-27-17-4-2-10-24(27)28-20(11-7-14-23(28)25-15-5-6-18-30-25)22-13-8-12-21-19-9-1-3-16-26(19)31-29(21)22/h1-18,31-32H.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol?
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol has a molecular weight of 412.49 g/mol, XLogP of 7.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol is sourced from PubChem (CID 141226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).