9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole

C31H26N4O — CID 153421354

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-c4cncc(Oc5ccccn5)c4)cc32)c1
InChIInChI=1S/C31H26N4O/c1-31(2,3)23-13-15-33-29(18-23)35-27-9-5-4-8-25(27)26-12-11-21(17-28(26)35)22-16-24(20-32-19-22)36-30-10-6-7-14-34-30/h4-20H,1-3H3
InChIKeyQHGLGFURSWAZDV-UHFFFAOYSA-N
MW470.58 g/mol
LogP7.73
Rot. Bonds4

About 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole

9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole (PubChem CID 153421354) has the molecular formula C31H26N4O and a molecular weight of 470.58 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
PubChem CID153421354
Molecular FormulaC31H26N4O
Molecular Weight470.58 g/mol
Exact Mass470.21
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-c4cncc(Oc5ccccn5)c4)cc32)c1
InChIInChI=1S/C31H26N4O/c1-31(2,3)23-13-15-33-29(18-23)35-27-9-5-4-8-25(27)26-12-11-21(17-28(26)35)22-16-24(20-32-19-22)36-30-10-6-7-14-34-30/h4-20H,1-3H3
InChIKeyQHGLGFURSWAZDV-UHFFFAOYSA-N
XLogP7.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-(3-tert-butyl-5-isoquinolin-1-yloxyphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421001
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole (CID 153421354) is 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(-c4cncc(Oc5ccccn5)c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole?
The InChIKey is QHGLGFURSWAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O/c1-31(2,3)23-13-15-33-29(18-23)35-27-9-5-4-8-25(27)26-12-11-21(17-28(26)35)22-16-24(20-32-19-22)36-30-10-6-7-14-34-30/h4-20H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole has a molecular weight of 470.58 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole is sourced from PubChem (CID 153421354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).