N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine

C38H35N5 — CID 158391077

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
SMILESCc1cc(C)n(-c2cccc(N(C)c3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)c2)n1
InChIInChI=1S/C38H35N5/c1-26-22-27(2)43(40-26)32-15-11-14-30(24-32)41(5)31-18-19-34-33-16-9-10-17-35(33)42(36(34)25-31)37-23-29(20-21-39-37)38(3,4)28-12-7-6-8-13-28/h6-25H,1-5H3
InChIKeyOPYSVZNLBZGFFU-UHFFFAOYSA-N
MW561.73 g/mol
LogP9.08
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine (PubChem CID 158391077) has the molecular formula C38H35N5 and a molecular weight of 561.73 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
PubChem CID158391077
Molecular FormulaC38H35N5
Molecular Weight561.73 g/mol
Exact Mass561.29
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
SMILESCc1cc(C)n(-c2cccc(N(C)c3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)c2)n1
InChIInChI=1S/C38H35N5/c1-26-22-27(2)43(40-26)32-15-11-14-30(24-32)41(5)31-18-19-34-33-16-9-10-17-35(33)42(36(34)25-31)37-23-29(20-21-39-37)38(3,4)28-12-7-6-8-13-28/h6-25H,1-5H3
InChIKeyOPYSVZNLBZGFFU-UHFFFAOYSA-N
XLogP9.08
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 162447307
N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 162448983
2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 162447675
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-N-phenyl-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 161370511
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
CID 155636088
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
N-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenyl]-9-(4-tert-butyl-2-pyridinyl)-N-phenylcarbazol-2-amine
CID 169056923
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine (CID 158391077) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine is Cc1cc(C)n(-c2cccc(N(C)c3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine?
The InChIKey is OPYSVZNLBZGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N5/c1-26-22-27(2)43(40-26)32-15-11-14-30(24-32)41(5)31-18-19-34-33-16-9-10-17-35(33)42(36(34)25-31)37-23-29(20-21-39-37)38(3,4)28-12-7-6-8-13-28/h6-25H,1-5H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine has a molecular weight of 561.73 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine is sourced from PubChem (CID 158391077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).