N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine

C31H26N4O — CID 159430462

IUPACN,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
SMILESCc1cnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(N(C)C)c1
InChIInChI=1S/C31H26N4O/c1-21-17-29(34(2)3)31(33-20-21)36-24-10-8-9-22(18-24)23-14-15-26-25-11-4-5-12-27(25)35(28(26)19-23)30-13-6-7-16-32-30/h4-20H,1-3H3
InChIKeyGDDOTBZBXGUICV-UHFFFAOYSA-N
MW470.58 g/mol
LogP7.41
Rot. Bonds5

About N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine

N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine (PubChem CID 159430462) has the molecular formula C31H26N4O and a molecular weight of 470.58 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
PubChem CID159430462
Molecular FormulaC31H26N4O
Molecular Weight470.58 g/mol
Exact Mass470.21
IUPAC NameN,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine
SMILESCc1cnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(N(C)C)c1
InChIInChI=1S/C31H26N4O/c1-21-17-29(34(2)3)31(33-20-21)36-24-10-8-9-22(18-24)23-14-15-26-25-11-4-5-12-27(25)35(28(26)19-23)30-13-6-7-16-32-30/h4-20H,1-3H3
InChIKeyGDDOTBZBXGUICV-UHFFFAOYSA-N
XLogP7.41
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
2-[3-[(5-methyl-2-pyridinyl)oxy]phenyl]-9-pyrazin-2-ylcarbazole
CID 157488582
N-methyl-N-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]pyridin-2-amine
CID 157242639
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
9-(6-methyl-2-pyridinyl)-2-[3-[(4-methyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421943
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
methyl-[3-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]phenyl]-pyridin-2-ylborane
CID 158652282
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine?
The IUPAC name of N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine (CID 159430462) is N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine is Cc1cnc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c(N(C)C)c1.
What is the InChIKey of N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine?
The InChIKey is GDDOTBZBXGUICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O/c1-21-17-29(34(2)3)31(33-20-21)36-24-10-8-9-22(18-24)23-14-15-26-25-11-4-5-12-27(25)35(28(26)19-23)30-13-6-7-16-32-30/h4-20H,1-3H3.
What are the key properties of N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine?
N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine has a molecular weight of 470.58 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[3-(9-pyridin-2-ylcarbazol-2-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 159430462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).