4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline

C59H56N4O — CID 20761167

IUPAC4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)(c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C59H56N4O/c1-7-60(8-2)46-29-21-42(22-30-46)59(43-23-31-47(32-24-43)61(9-3)10-4,44-25-37-57-53(39-44)51-15-11-13-17-55(51)62(57)48-27-19-41(5)20-28-48)45-26-38-58-54(40-45)52-16-12-14-18-56(52)63(58)49-33-35-50(64-6)36-34-49/h11-40H,7-10H2,1-6H3
InChIKeyRWXFNFGZKHFZBK-UHFFFAOYSA-N
MW837.12 g/mol
LogP14.27
Rot. Bonds13

About 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline

4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline (PubChem CID 20761167) has the molecular formula C59H56N4O and a molecular weight of 837.12 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline
PubChem CID20761167
Molecular FormulaC59H56N4O
Molecular Weight837.12 g/mol
Exact Mass836.45
IUPAC Name4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)(c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C59H56N4O/c1-7-60(8-2)46-29-21-42(22-30-46)59(43-23-31-47(32-24-43)61(9-3)10-4,44-25-37-57-53(39-44)51-15-11-13-17-55(51)62(57)48-27-19-41(5)20-28-48)45-26-38-58-54(40-45)52-16-12-14-18-56(52)63(58)49-33-35-50(64-6)36-34-49/h11-40H,7-10H2,1-6H3
InChIKeyRWXFNFGZKHFZBK-UHFFFAOYSA-N
XLogP14.27
TPSA25.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.12
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-Methoxyphenyl)ethyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126325
CID 137628645
CID 137628645
3-{[4-(4-ethoxybenzyl)piperazin-1-yl]methyl}-9-ethyl-9H-carbazole
CID 4351158
5-[(Z)-2-(4-Methoxyphenyl)vinyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224916
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7-methylbenzo[c]carbazol-2-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylbenzo[c]carbazol-2-amine;dihydrochloride
CID 49796275
8-methoxy-5-[9-(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186443
N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide
CID 155528306
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide
CID 155558424
N-(2-carbazol-9-ylethyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 9820170
3-carbazol-9-yl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 9951389
3-carbazol-9-yl-N-[2-[4-[2-[3-carbazol-9-ylpropyl(methyl)amino]ethyl]-2,5-dimethoxyphenyl]ethyl]-N-methylpropan-1-amine
CID 145956232
9-[3-[(3S,5R)-4-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpiperazin-1-yl]propyl]carbazole
CID 145961630

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline (CID 20761167) is 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)(c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline?
The InChIKey is RWXFNFGZKHFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N4O/c1-7-60(8-2)46-29-21-42(22-30-46)59(43-23-31-47(32-24-43)61(9-3)10-4,44-25-37-57-53(39-44)51-15-11-13-17-55(51)62(57)48-27-19-41(5)20-28-48)45-26-38-58-54(40-45)52-16-12-14-18-56(52)63(58)49-33-35-50(64-6)36-34-49/h11-40H,7-10H2,1-6H3.
What are the key properties of 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline?
4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline has a molecular weight of 837.12 g/mol, XLogP of 14.27, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]-[9-(4-methoxyphenyl)carbazol-3-yl]-[9-(4-methylphenyl)carbazol-3-yl]methyl]-N,N-diethylaniline is sourced from PubChem (CID 20761167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).