2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C97H104N10S — CID 161085648

About 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 161085648) has the molecular formula C97H104N10S and a molecular weight of 1442.04 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 161085648
• Molecular Formula: C97H104N10S
• Molecular Weight: 1442.04 g/mol
• Exact Mass: 1440.82
• IUPAC Name: 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccn(C)c2c1.C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cccc2ccccc12.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cc(C)cs1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2c(ccn2C)c1
• InChI: InChI=1S/C26H26N2.2C25H27N3.C21H24N2S/c1-18-11-12-25-23(15-18)24-17-27(3)14-13-26(24)28(25)16-19(2)21-10-6-8-20-7-4-5-9-22(20)21;1-17-5-8-23-21(13-17)22-16-26(3)11-10-24(22)28(23)15-18(2)20-7-6-19-9-12-27(4)25(19)14-20;1-17-5-7-24-21(13-17)22-16-26(3)11-10-25(22)28(24)15-18(2)19-6-8-23-20(14-19)9-12-27(23)4;1-14-5-6-19-17(9-14)18-12-22(4)8-7-20(18)23(19)11-16(3)21-10-15(2)13-24-21/h4-12,15-16H,13-14,17H2,1-3H3;2*5-9,12-15H,10-11,16H2,1-4H3;5-6,9-11,13H,7-8,12H2,1-4H3/b19-16-;18-15-;18-15+;16-11+
• InChIKey: UGLXJVHOYIOKPB-ANVYOVHUSA-N
• XLogP: 22.33
• TPSA: 42.54 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.04
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 161085648) is 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2ccn(C)c2c1.C/C(=C/n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cccc2ccccc12.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1cc(C)cs1.C/C(=C\n1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc2c(ccn2C)c1.

What is the InChIKey of 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is UGLXJVHOYIOKPB-ANVYOVHUSA-N. The full InChI is InChI=1S/C26H26N2.2C25H27N3.C21H24N2S/c1-18-11-12-25-23(15-18)24-17-27(3)14-13-26(24)28(25)16-19(2)21-10-6-8-20-7-4-5-9-22(20)21;1-17-5-8-23-21(13-17)22-16-26(3)11-10-24(22)28(23)15-18(2)20-7-6-19-9-12-27(4)25(19)14-20;1-17-5-7-24-21(13-17)22-16-26(3)11-10-25(22)28(24)15-18(2)19-6-8-23-20(14-19)9-12-27(23)4;1-14-5-6-19-17(9-14)18-12-22(4)8-7-20(18)23(19)11-16(3)21-10-15(2)13-24-21/h4-12,15-16H,13-14,17H2,1-3H3;2*5-9,12-15H,10-11,16H2,1-4H3;5-6,9-11,13H,7-8,12H2,1-4H3/b19-16-;18-15-;18-15+;16-11+.

What are the key properties of 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1442.04 g/mol, XLogP of 22.33, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[(E)-2-(1-methylindol-5-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-(1-methylindol-6-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-(4-methylthiophen-2-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-1-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 161085648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).