3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole

C139H121N7O2S — CID 158830321

IUPAC3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole
SMILESCOc1ccc(C(C)c2ccc3[nH]c4ccc(C)cc4c3c2)cc1.Cc1ccc2[nH]c3ccc(C(C)c4c5ccccc5cc5ccccc45)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(C=O)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccncc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccsc4)cc3c2c1
InChIInChI=1S/C29H23N.C27H23N.C22H21NO.C22H19NO.C20H18N2.C19H17NS/c1-18-11-13-27-25(15-18)26-17-20(12-14-28(26)30-27)19(2)29-23-9-5-3-7-21(23)16-22-8-4-6-10-24(22)29;1-18-8-14-26-24(16-18)25-17-23(13-15-27(25)28-26)19(2)20-9-11-22(12-10-20)21-6-4-3-5-7-21;1-14-4-10-21-19(12-14)20-13-17(7-11-22(20)23-21)15(2)16-5-8-18(24-3)9-6-16;1-14-3-9-21-19(11-14)20-12-18(8-10-22(20)23-21)15(2)17-6-4-16(13-24)5-7-17;1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)22-19)14(2)15-7-9-21-10-8-15;1-12-3-5-18-16(9-12)17-10-14(4-6-19(17)20-18)13(2)15-7-8-21-11-15/h3-17,19,30H,1-2H3;3-17,19,28H,1-2H3;4-13,15,23H,1-3H3;3-13,15,23H,1-2H3;3-12,14,22H,1-2H3;3-11,13,20H,1-2H3
InChIKeyIWYQWMWAKZUSDF-UHFFFAOYSA-N
MW1953.61 g/mol
LogP37.94
Rot. Bonds15

About 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole

3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole (PubChem CID 158830321) has the molecular formula C139H121N7O2S and a molecular weight of 1953.61 g/mol. Its IUPAC name is 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole.

Molecular Properties

Compound Name3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole
PubChem CID158830321
Molecular FormulaC139H121N7O2S
Molecular Weight1953.61 g/mol
Exact Mass1951.93
IUPAC Name3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole
SMILESCOc1ccc(C(C)c2ccc3[nH]c4ccc(C)cc4c3c2)cc1.Cc1ccc2[nH]c3ccc(C(C)c4c5ccccc5cc5ccccc45)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(C=O)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccncc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccsc4)cc3c2c1
InChIInChI=1S/C29H23N.C27H23N.C22H21NO.C22H19NO.C20H18N2.C19H17NS/c1-18-11-13-27-25(15-18)26-17-20(12-14-28(26)30-27)19(2)29-23-9-5-3-7-21(23)16-22-8-4-6-10-24(22)29;1-18-8-14-26-24(16-18)25-17-23(13-15-27(25)28-26)19(2)20-9-11-22(12-10-20)21-6-4-3-5-7-21;1-14-4-10-21-19(12-14)20-13-17(7-11-22(20)23-21)15(2)16-5-8-18(24-3)9-6-16;1-14-3-9-21-19(11-14)20-12-18(8-10-22(20)23-21)15(2)17-6-4-16(13-24)5-7-17;1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)22-19)14(2)15-7-9-21-10-8-15;1-12-3-5-18-16(9-12)17-10-14(4-6-19(17)20-18)13(2)15-7-8-21-11-15/h3-17,19,30H,1-2H3;3-17,19,28H,1-2H3;4-13,15,23H,1-3H3;3-13,15,23H,1-2H3;3-12,14,22H,1-2H3;3-11,13,20H,1-2H3
InChIKeyIWYQWMWAKZUSDF-UHFFFAOYSA-N
XLogP37.94
TPSA133.93 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.61
LogP ≤ 537.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole?
The IUPAC name of 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole (CID 158830321) is 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole.
What is the SMILES notation for 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole?
The canonical SMILES for 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole is COc1ccc(C(C)c2ccc3[nH]c4ccc(C)cc4c3c2)cc1.Cc1ccc2[nH]c3ccc(C(C)c4c5ccccc5cc5ccccc45)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccc(C=O)cc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccncc4)cc3c2c1.Cc1ccc2[nH]c3ccc(C(C)c4ccsc4)cc3c2c1.
What is the InChIKey of 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole?
The InChIKey is IWYQWMWAKZUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N.C27H23N.C22H21NO.C22H19NO.C20H18N2.C19H17NS/c1-18-11-13-27-25(15-18)26-17-20(12-14-28(26)30-27)19(2)29-23-9-5-3-7-21(23)16-22-8-4-6-10-24(22)29;1-18-8-14-26-24(16-18)25-17-23(13-15-27(25)28-26)19(2)20-9-11-22(12-10-20)21-6-4-3-5-7-21;1-14-4-10-21-19(12-14)20-13-17(7-11-22(20)23-21)15(2)16-5-8-18(24-3)9-6-16;1-14-3-9-21-19(11-14)20-12-18(8-10-22(20)23-21)15(2)17-6-4-16(13-24)5-7-17;1-13-3-5-19-17(11-13)18-12-16(4-6-20(18)22-19)14(2)15-7-9-21-10-8-15;1-12-3-5-18-16(9-12)17-10-14(4-6-19(17)20-18)13(2)15-7-8-21-11-15/h3-17,19,30H,1-2H3;3-17,19,28H,1-2H3;4-13,15,23H,1-3H3;3-13,15,23H,1-2H3;3-12,14,22H,1-2H3;3-11,13,20H,1-2H3.
What are the key properties of 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole?
3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole has a molecular weight of 1953.61 g/mol, XLogP of 37.94, 15 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anthracen-9-ylethyl)-6-methyl-9H-carbazole;3-[1-(4-methoxyphenyl)ethyl]-6-methyl-9H-carbazole;4-[1-(6-methyl-9H-carbazol-3-yl)ethyl]benzaldehyde;3-methyl-6-[1-(4-phenylphenyl)ethyl]-9H-carbazole;3-methyl-6-(1-pyridin-4-ylethyl)-9H-carbazole;3-methyl-6-(1-thiophen-3-ylethyl)-9H-carbazole is sourced from PubChem (CID 158830321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).