6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]

C47H45N3O6 — CID 88970029

About 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]

6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole] (PubChem CID 88970029) has the molecular formula C47H45N3O6 and a molecular weight of 747.89 g/mol. Its IUPAC name is 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole].

Molecular Properties

• Compound Name: 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]
• PubChem CID: 88970029
• Molecular Formula: C47H45N3O6
• Molecular Weight: 747.89 g/mol
• Exact Mass: 747.33
• IUPAC Name: 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]
• SMILES: COc1cc2c(c(OC)c1)OC1(C=C2)N(Cc2ccc(CN3c4ccccc4C(C)(C)C34C=Cc3cc(N=O)cc(OC)c3O4)cc2)c2ccccc2C1(C)C
• InChI: InChI=1S/C47H45N3O6/c1-44(2)36-12-8-10-14-38(36)49(46(44)22-20-32-24-34(48-51)26-40(53-6)42(32)55-46)28-30-16-18-31(19-17-30)29-50-39-15-11-9-13-37(39)45(3,4)47(50)23-21-33-25-35(52-5)27-41(54-7)43(33)56-47/h8-27H,28-29H2,1-7H3
• InChIKey: AECKFCJONGYLBV-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 82.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.89
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]?

The IUPAC name of 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole] (CID 88970029) is 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole].

What is the SMILES notation for 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]?

The canonical SMILES for 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole] is COc1cc2c(c(OC)c1)OC1(C=C2)N(Cc2ccc(CN3c4ccccc4C(C)(C)C34C=Cc3cc(N=O)cc(OC)c3O4)cc2)c2ccccc2C1(C)C.

What is the InChIKey of 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]?

The InChIKey is AECKFCJONGYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45N3O6/c1-44(2)36-12-8-10-14-38(36)49(46(44)22-20-32-24-34(48-51)26-40(53-6)42(32)55-46)28-30-16-18-31(19-17-30)29-50-39-15-11-9-13-37(39)45(3,4)47(50)23-21-33-25-35(52-5)27-41(54-7)43(33)56-47/h8-27H,28-29H2,1-7H3.

What are the key properties of 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole]?

6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole] has a molecular weight of 747.89 g/mol, XLogP of 10.31, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethoxy-1'-[[4-[(8-methoxy-3',3'-dimethyl-6-nitrosospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-3',3'-dimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 88970029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).