2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole

C45H63ClN2O — CID 72573634

About 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole

2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole (PubChem CID 72573634) has the molecular formula C45H63ClN2O and a molecular weight of 683.47 g/mol. Its IUPAC name is 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole.

Molecular Properties

• Compound Name: 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole
• PubChem CID: 72573634
• Molecular Formula: C45H63ClN2O
• Molecular Weight: 683.47 g/mol
• Exact Mass: 682.46
• IUPAC Name: 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole
• SMILES: CCCc1cc2c(cc1CCC)C(C)(C)C(=CC=C1CCCC(C=CC3(OC)N(C)c4cc(CCC)c(CCC)cc4C3(C)C)=C1Cl)N2C
• InChI: InChI=1S/C45H63ClN2O/c1-12-17-33-27-37-39(29-35(33)19-14-3)47(9)41(43(37,5)6)24-23-31-21-16-22-32(42(31)46)25-26-45(49-11)44(7,8)38-28-34(18-13-2)36(20-15-4)30-40(38)48(45)10/h23-30H,12-22H2,1-11H3
• InChIKey: MOKKRTLTSUQJRZ-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.47
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole?

The IUPAC name of 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole (CID 72573634) is 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole.

What is the SMILES notation for 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole?

The canonical SMILES for 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole is CCCc1cc2c(cc1CCC)C(C)(C)C(=CC=C1CCCC(C=CC3(OC)N(C)c4cc(CCC)c(CCC)cc4C3(C)C)=C1Cl)N2C.

What is the InChIKey of 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole?

The InChIKey is MOKKRTLTSUQJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H63ClN2O/c1-12-17-33-27-37-39(29-35(33)19-14-3)47(9)41(43(37,5)6)24-23-31-21-16-22-32(42(31)46)25-26-45(49-11)44(7,8)38-28-34(18-13-2)36(20-15-4)30-40(38)48(45)10/h23-30H,12-22H2,1-11H3.

What are the key properties of 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole?

2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole has a molecular weight of 683.47 g/mol, XLogP of 12.04, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-chloro-3-[2-(1,3,3-trimethyl-5,6-dipropylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2-methoxy-1,3,3-trimethyl-5,6-dipropylindole is sourced from PubChem (CID 72573634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).