(Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

C49H41N — CID 142323849

About (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene

(Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (PubChem CID 142323849) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

Molecular Properties

• Compound Name: (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• PubChem CID: 142323849
• Molecular Formula: C49H41N
• Molecular Weight: 643.87 g/mol
• Exact Mass: 643.32
• IUPAC Name: (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
• SMILES: C/C=C\C.Cc1ccccc1-c1cc2cc3c(cc2cc1C)c1cccc2c4cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc4n3c21
• InChI: InChI=1S/C45H33N.C4H8/c1-26-10-5-6-11-32(26)36-23-31-25-43-39(24-30(31)20-27(36)2)35-14-9-13-34-38-22-29(17-19-42(38)46(43)44(34)35)28-16-18-41-37(21-28)33-12-7-8-15-40(33)45(41,3)4;1-3-4-2/h5-25H,1-4H3;3-4H,1-2H3/b;4-3-
• InChIKey: UAYVYJHLVJMWOX-QGAMPUOQSA-N
• XLogP: 13.83
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.87
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The IUPAC name of (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene (CID 142323849) is (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene.

What is the SMILES notation for (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The canonical SMILES for (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is C/C=C\C.Cc1ccccc1-c1cc2cc3c(cc2cc1C)c1cccc2c4cc(-c5ccc6c(c5)-c5ccccc5C6(C)C)ccc4n3c21.

What is the InChIKey of (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

The InChIKey is UAYVYJHLVJMWOX-QGAMPUOQSA-N. The full InChI is InChI=1S/C45H33N.C4H8/c1-26-10-5-6-11-32(26)36-23-31-25-43-39(24-30(31)20-27(36)2)35-14-9-13-34-38-22-29(17-19-42(38)46(43)44(34)35)28-16-18-41-37(21-28)33-12-7-8-15-40(33)45(41,3)4;1-3-4-2/h5-25H,1-4H3;3-4H,1-2H3/b;4-3-.

What are the key properties of (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene?

(Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene has a molecular weight of 643.87 g/mol, XLogP of 13.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene is sourced from PubChem (CID 142323849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).