[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine

C117H104F3N11O3 — CID 159372339

IUPAC[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine
SMILESCC(c1ccc2cc(N)ccc2c1)c1ccc2cc(N)ccc2c1.Cc1ccc(N)c(C(C)c2cc(C(F)(F)F)ccc2N)c1.Nc1ccc2c(c1)Oc1cc(N)ccc1C2c1ccc(-c2ccccc2)cc1.[H]/N=C/OCc1ccc(C(C)c2ccc(NC(C)=O)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H20N2O.C22H20N2.C18H20N2O2.C16H17F3N2.3C12H9N/c26-19-10-12-21-23(14-19)28-24-15-20(27)11-13-22(24)25(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;1-14(15-2-4-19-12-21(23)8-6-17(19)10-15)16-3-5-20-13-22(24)9-7-18(20)11-16;1-13(16-5-3-15(4-6-16)11-22-12-19)17-7-9-18(10-8-17)20-14(2)21;1-9-3-5-14(20)12(7-9)10(2)13-8-11(16(17,18)19)4-6-15(13)21;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-15,25H,26-27H2;2-14H,23-24H2,1H3;3-10,12-13,19H,11H2,1-2H3,(H,20,21);3-8,10H,20-21H2,1-2H3;3*1-8,13H/b;;19-12+;;;;
InChIKeyLJWZENAWJQOMJL-IEHLOGEUSA-N
MW1769.19 g/mol
LogP29.33
Rot. Bonds12

About [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine

[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine (PubChem CID 159372339) has the molecular formula C117H104F3N11O3 and a molecular weight of 1769.19 g/mol. Its IUPAC name is [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine.

Molecular Properties

Compound Name[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine
PubChem CID159372339
Molecular FormulaC117H104F3N11O3
Molecular Weight1769.19 g/mol
Exact Mass1767.83
IUPAC Name[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine
SMILESCC(c1ccc2cc(N)ccc2c1)c1ccc2cc(N)ccc2c1.Cc1ccc(N)c(C(C)c2cc(C(F)(F)F)ccc2N)c1.Nc1ccc2c(c1)Oc1cc(N)ccc1C2c1ccc(-c2ccccc2)cc1.[H]/N=C/OCc1ccc(C(C)c2ccc(NC(C)=O)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C25H20N2O.C22H20N2.C18H20N2O2.C16H17F3N2.3C12H9N/c26-19-10-12-21-23(14-19)28-24-15-20(27)11-13-22(24)25(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;1-14(15-2-4-19-12-21(23)8-6-17(19)10-15)16-3-5-20-13-22(24)9-7-18(20)11-16;1-13(16-5-3-15(4-6-16)11-22-12-19)17-7-9-18(10-8-17)20-14(2)21;1-9-3-5-14(20)12(7-9)10(2)13-8-11(16(17,18)19)4-6-15(13)21;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-15,25H,26-27H2;2-14H,23-24H2,1H3;3-10,12-13,19H,11H2,1-2H3,(H,20,21);3-8,10H,20-21H2,1-2H3;3*1-8,13H/b;;19-12+;;;;
InChIKeyLJWZENAWJQOMJL-IEHLOGEUSA-N
XLogP29.33
TPSA274.90 Ų
H-Bond Donors11
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.19
LogP ≤ 529.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,16R,19S)-13,16-dimethyl-19-prop-1-en-2-yl-6-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
CID 72946584
3,3,5-trimethyl-1-(3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-10-yl)-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 102124777
(1S,16S,19S)-13,16-dimethyl-19-prop-1-en-2-yl-6-[(1R)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
CID 102145333
(1R)-1-(7-methoxy-6-methyl-9H-carbazol-1-yl)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole
CID 162821237
3,3,5-trimethyl-10-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
CID 162856075
3,3,5-trimethyl-10-[(1R)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
CID 163187986
3,3,5-trimethyl-8-[(1S)-3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-1-yl]-11H-pyrano[3,2-a]carbazole
CID 163193082
5-phenylmethoxy-9-(trifluoromethyl)-7H-benzo[c]carbazole
CID 148864471
3,8-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;8-methoxy-3,9-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-methyl-N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-propan-2-yloxy-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)acetamide;3-methyl-8-(trifluoromethoxy)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;3-methyl-8-(trifluoromethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole;N,N,3-trimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-amine
CID 167557968
6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole
CID 102141091
(1R,16R,19S)-13,16-dimethyl-19-prop-1-en-2-yl-6-[(1R)-3,3,5-trimethyl-2,4a,11,11b-tetrahydro-1H-pyrano[3,2-a]carbazol-1-yl]-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5(10),6,8,12-hexaene
CID 134849307
9-methoxy-3,3,8-trimethyl-11H-pyrano[3,2-a]carbazole
CID 139191675

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine?
The IUPAC name of [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine (CID 159372339) is [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine.
What is the SMILES notation for [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine?
The canonical SMILES for [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine is CC(c1ccc2cc(N)ccc2c1)c1ccc2cc(N)ccc2c1.Cc1ccc(N)c(C(C)c2cc(C(F)(F)F)ccc2N)c1.Nc1ccc2c(c1)Oc1cc(N)ccc1C2c1ccc(-c2ccccc2)cc1.[H]/N=C/OCc1ccc(C(C)c2ccc(NC(C)=O)cc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine?
The InChIKey is LJWZENAWJQOMJL-IEHLOGEUSA-N. The full InChI is InChI=1S/C25H20N2O.C22H20N2.C18H20N2O2.C16H17F3N2.3C12H9N/c26-19-10-12-21-23(14-19)28-24-15-20(27)11-13-22(24)25(21)18-8-6-17(7-9-18)16-4-2-1-3-5-16;1-14(15-2-4-19-12-21(23)8-6-17(19)10-15)16-3-5-20-13-22(24)9-7-18(20)11-16;1-13(16-5-3-15(4-6-16)11-22-12-19)17-7-9-18(10-8-17)20-14(2)21;1-9-3-5-14(20)12(7-9)10(2)13-8-11(16(17,18)19)4-6-15(13)21;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-15,25H,26-27H2;2-14H,23-24H2,1H3;3-10,12-13,19H,11H2,1-2H3,(H,20,21);3-8,10H,20-21H2,1-2H3;3*1-8,13H/b;;19-12+;;;;.
What are the key properties of [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine?
[4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine has a molecular weight of 1769.19 g/mol, XLogP of 29.33, 12 rotatable bonds, 11 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-acetamidophenyl)ethyl]phenyl]methyl methanimidate;6-[1-(6-aminonaphthalen-2-yl)ethyl]naphthalen-2-amine;2-[1-[2-amino-5-(trifluoromethyl)phenyl]ethyl]-4-methylaniline;tris(9H-carbazole);9-(4-phenylphenyl)-9H-xanthene-3,6-diamine is sourced from PubChem (CID 159372339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).