N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine

C27H24N6 — CID 162285637

IUPACN-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine
SMILESCN(c1cccc(N2C=CNN2C)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C27H24N6/c1-30(20-8-7-9-22(18-20)32-17-16-29-31(32)2)21-13-14-24-23-10-3-4-11-25(23)33(26(24)19-21)27-12-5-6-15-28-27/h3-19,29H,1-2H3
InChIKeyNCDZWWMRCIBHNJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.59
Rot. Bonds4

About N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine

N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine (PubChem CID 162285637) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine
PubChem CID162285637
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC NameN-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine
SMILESCN(c1cccc(N2C=CNN2C)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C27H24N6/c1-30(20-8-7-9-22(18-20)32-17-16-29-31(32)2)21-13-14-24-23-10-3-4-11-25(23)33(26(24)19-21)27-12-5-6-15-28-27/h3-19,29H,1-2H3
InChIKeyNCDZWWMRCIBHNJ-UHFFFAOYSA-N
XLogP5.59
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[3-(3-methyl-1,3,2-benzoxazaborol-2-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine
CID 156625647
N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
CID 155651880
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 158391077
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)-N-methylaniline;7-carbazol-9-yl-9-methyl-N,N-diphenylcarbazol-2-amine;1-N-(3-carbazol-9-ylphenyl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2,7-di(carbazol-9-yl)-9-methylcarbazole;9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 159147766
N-(3-carbazol-9-ylphenyl)-N-methylnaphthalen-2-amine
CID 58903517
N-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenyl]-9-(4-tert-butyl-2-pyridinyl)-N-methylcarbazol-2-amine
CID 158436050

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine?
The IUPAC name of N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine (CID 162285637) is N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine.
What is the SMILES notation for N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine?
The canonical SMILES for N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine is CN(c1cccc(N2C=CNN2C)c1)c1ccc2c3ccccc3n(-c3ccccn3)c2c1.
What is the InChIKey of N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine?
The InChIKey is NCDZWWMRCIBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-30(20-8-7-9-22(18-20)32-17-16-29-31(32)2)21-13-14-24-23-10-3-4-11-25(23)33(26(24)19-21)27-12-5-6-15-28-27/h3-19,29H,1-2H3.
What are the key properties of N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine?
N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine has a molecular weight of 432.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methyl-1H-triazol-3-yl)phenyl]-9-pyridin-2-ylcarbazol-2-amine is sourced from PubChem (CID 162285637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).