N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine

C44H28F6N6 — CID 89348013

IUPACN-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1c(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2nc3c4ccccc4cc(C(F)(F)F)n3c2C)nc2c3ccccc3cc(C(F)(F)F)n12
InChIInChI=1S/C44H28F6N6/c1-25-39(51-41-31-13-5-3-11-27(31)23-37(53(25)41)43(45,46)47)56(40-26(2)54-38(44(48,49)50)24-28-12-4-6-14-32(28)42(54)52-40)30-21-19-29(20-22-30)55-35-17-9-7-15-33(35)34-16-8-10-18-36(34)55/h3-24H,1-2H3
InChIKeyIWYYSKUDXVYUJO-UHFFFAOYSA-N
MW754.74 g/mol
LogP12.51
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine

N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 89348013) has the molecular formula C44H28F6N6 and a molecular weight of 754.74 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID89348013
Molecular FormulaC44H28F6N6
Molecular Weight754.74 g/mol
Exact Mass754.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1c(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2nc3c4ccccc4cc(C(F)(F)F)n3c2C)nc2c3ccccc3cc(C(F)(F)F)n12
InChIInChI=1S/C44H28F6N6/c1-25-39(51-41-31-13-5-3-11-27(31)23-37(53(25)41)43(45,46)47)56(40-26(2)54-38(44(48,49)50)24-28-12-4-6-14-32(28)42(54)52-40)30-21-19-29(20-22-30)55-35-17-9-7-15-33(35)34-16-8-10-18-36(34)55/h3-24H,1-2H3
InChIKeyIWYYSKUDXVYUJO-UHFFFAOYSA-N
XLogP12.51
TPSA42.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.74
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine with MolForge

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-methoxyphenyl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
CID 160761682
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-(4-carbazol-9-ylphenyl)-1-phenyl-N-(1-phenylindazol-3-yl)indazol-3-amine
CID 59661056
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 138662214
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine (CID 89348013) is N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine is Cc1c(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2nc3c4ccccc4cc(C(F)(F)F)n3c2C)nc2c3ccccc3cc(C(F)(F)F)n12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is IWYYSKUDXVYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F6N6/c1-25-39(51-41-31-13-5-3-11-27(31)23-37(53(25)41)43(45,46)47)56(40-26(2)54-38(44(48,49)50)24-28-12-4-6-14-32(28)42(54)52-40)30-21-19-29(20-22-30)55-35-17-9-7-15-33(35)34-16-8-10-18-36(34)55/h3-24H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine?
N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 754.74 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-yl]-5-(trifluoromethyl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 89348013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).