4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole

C109H107N9O5 — CID 157449472

IUPAC4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole
SMILESCOc1cc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N)c(OC)c2)ccc1N.COc1cc(N)ccc1C(c1ccc(-c2ccccc2)cc1)c1ccc(N)cc1OC.COc1ccc(N)c(C(c2ccc(-c3ccccc3)cc2)c2cc(C)ccc2N)c1.Cc1ccc(N)c(C(C)c2cc(C)ccc2N)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C27H26N2O2.C27H26N2O.C16H20N2.C12H9N/c1-30-25-16-21(28)12-14-23(25)27(24-15-13-22(29)17-26(24)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-30-25-16-21(12-14-23(25)28)27(22-13-15-24(29)26(17-22)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-18-8-14-25(28)23(16-18)27(24-17-22(30-2)13-15-26(24)29)21-11-9-20(10-12-21)19-6-4-3-5-7-19;1-10-4-6-15(17)13(8-10)12(3)14-9-11(2)5-7-16(14)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*3-17,27H,28-29H2,1-2H3;3-17,27H,28-29H2,1-2H3;4-9,12H,17-18H2,1-3H3;1-8,13H
InChIKeyBSQAMWYPJJLIBQ-UHFFFAOYSA-N
MW1623.11 g/mol
LogP24.39
Rot. Bonds19

About 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole

4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole (PubChem CID 157449472) has the molecular formula C109H107N9O5 and a molecular weight of 1623.11 g/mol. Its IUPAC name is 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole.

Molecular Properties

Compound Name4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole
PubChem CID157449472
Molecular FormulaC109H107N9O5
Molecular Weight1623.11 g/mol
Exact Mass1621.84
IUPAC Name4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole
SMILESCOc1cc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N)c(OC)c2)ccc1N.COc1cc(N)ccc1C(c1ccc(-c2ccccc2)cc1)c1ccc(N)cc1OC.COc1ccc(N)c(C(c2ccc(-c3ccccc3)cc2)c2cc(C)ccc2N)c1.Cc1ccc(N)c(C(C)c2cc(C)ccc2N)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C27H26N2O2.C27H26N2O.C16H20N2.C12H9N/c1-30-25-16-21(28)12-14-23(25)27(24-15-13-22(29)17-26(24)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-30-25-16-21(12-14-23(25)28)27(22-13-15-24(29)26(17-22)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-18-8-14-25(28)23(16-18)27(24-17-22(30-2)13-15-26(24)29)21-11-9-20(10-12-21)19-6-4-3-5-7-19;1-10-4-6-15(17)13(8-10)12(3)14-9-11(2)5-7-16(14)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*3-17,27H,28-29H2,1-2H3;3-17,27H,28-29H2,1-2H3;4-9,12H,17-18H2,1-3H3;1-8,13H
InChIKeyBSQAMWYPJJLIBQ-UHFFFAOYSA-N
XLogP24.39
TPSA270.10 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001623.11
LogP ≤ 524.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole?
The IUPAC name of 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole (CID 157449472) is 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole.
What is the SMILES notation for 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole?
The canonical SMILES for 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole is COc1cc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N)c(OC)c2)ccc1N.COc1cc(N)ccc1C(c1ccc(-c2ccccc2)cc1)c1ccc(N)cc1OC.COc1ccc(N)c(C(c2ccc(-c3ccccc3)cc2)c2cc(C)ccc2N)c1.Cc1ccc(N)c(C(C)c2cc(C)ccc2N)c1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole?
The InChIKey is BSQAMWYPJJLIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26N2O2.C27H26N2O.C16H20N2.C12H9N/c1-30-25-16-21(28)12-14-23(25)27(24-15-13-22(29)17-26(24)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-30-25-16-21(12-14-23(25)28)27(22-13-15-24(29)26(17-22)31-2)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-18-8-14-25(28)23(16-18)27(24-17-22(30-2)13-15-26(24)29)21-11-9-20(10-12-21)19-6-4-3-5-7-19;1-10-4-6-15(17)13(8-10)12(3)14-9-11(2)5-7-16(14)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*3-17,27H,28-29H2,1-2H3;3-17,27H,28-29H2,1-2H3;4-9,12H,17-18H2,1-3H3;1-8,13H.
What are the key properties of 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole?
4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole has a molecular weight of 1623.11 g/mol, XLogP of 24.39, 19 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methoxyphenyl)-(4-phenylphenyl)methyl]-3-methoxyaniline;4-[(4-amino-3-methoxyphenyl)-(4-phenylphenyl)methyl]-2-methoxyaniline;2-[(2-amino-5-methoxyphenyl)-(4-phenylphenyl)methyl]-4-methylaniline;2-[1-(2-amino-5-methylphenyl)ethyl]-4-methylaniline;9H-carbazole is sourced from PubChem (CID 157449472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).