1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]

C27H23NO — CID 3740164

IUPAC1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
SMILESCN1c2cc3ccccc3cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C27H23NO/c1-26(2)23-16-19-9-4-5-10-20(19)17-24(23)28(3)27(26)15-14-22-21-11-7-6-8-18(21)12-13-25(22)29-27/h4-17H,1-3H3
InChIKeyLLUOZZYYRPLGLD-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.52
Rot. Bonds

About 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]

1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole] (PubChem CID 3740164) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole].

Molecular Properties

Compound Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
PubChem CID3740164
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
SMILESCN1c2cc3ccccc3cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2
InChIInChI=1S/C27H23NO/c1-26(2)23-16-19-9-4-5-10-20(19)17-24(23)28(3)27(26)15-14-22-21-11-7-6-8-18(21)12-13-25(22)29-27/h4-17H,1-3H3
InChIKeyLLUOZZYYRPLGLD-UHFFFAOYSA-N
XLogP6.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]?
The IUPAC name of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole] (CID 3740164) is 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole].
What is the SMILES notation for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]?
The canonical SMILES for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole] is CN1c2cc3ccccc3cc2C(C)(C)C12C=Cc1c(ccc3ccccc13)O2.
What is the InChIKey of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]?
The InChIKey is LLUOZZYYRPLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-26(2)23-16-19-9-4-5-10-20(19)17-24(23)28(3)27(26)15-14-22-21-11-7-6-8-18(21)12-13-25(22)29-27/h4-17H,1-3H3.
What are the key properties of 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]?
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole] has a molecular weight of 377.49 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole] is sourced from PubChem (CID 3740164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).