1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one

C33H26N2O — CID 177491213

IUPAC1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(C=C(c3c(-c4ccccc4)[nH]c4ccccc34)c3ccccc31)C(=O)N2C
InChIInChI=1S/C33H26N2O/c1-20-17-21(2)31-27(18-20)33(32(36)35(31)3)19-25(23-13-7-9-15-26(23)33)29-24-14-8-10-16-28(24)34-30(29)22-11-5-4-6-12-22/h4-19,34H,1-3H3
InChIKeyIZPJZLVWFZDQEC-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.16
Rot. Bonds2

About 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one

1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one (PubChem CID 177491213) has the molecular formula C33H26N2O and a molecular weight of 466.58 g/mol. Its IUPAC name is 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one
PubChem CID177491213
Molecular FormulaC33H26N2O
Molecular Weight466.58 g/mol
Exact Mass466.20
IUPAC Name1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(C=C(c3c(-c4ccccc4)[nH]c4ccccc34)c3ccccc31)C(=O)N2C
InChIInChI=1S/C33H26N2O/c1-20-17-21(2)31-27(18-20)33(32(36)35(31)3)19-25(23-13-7-9-15-26(23)33)29-24-14-8-10-16-28(24)34-30(29)22-11-5-4-6-12-22/h4-19,34H,1-3H3
InChIKeyIZPJZLVWFZDQEC-UHFFFAOYSA-N
XLogP7.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one?
The IUPAC name of 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one (CID 177491213) is 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one.
What is the SMILES notation for 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one?
The canonical SMILES for 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one is Cc1cc(C)c2c(c1)C1(C=C(c3c(-c4ccccc4)[nH]c4ccccc34)c3ccccc31)C(=O)N2C.
What is the InChIKey of 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one?
The InChIKey is IZPJZLVWFZDQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O/c1-20-17-21(2)31-27(18-20)33(32(36)35(31)3)19-25(23-13-7-9-15-26(23)33)29-24-14-8-10-16-28(24)34-30(29)22-11-5-4-6-12-22/h4-19,34H,1-3H3.
What are the key properties of 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one?
1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one has a molecular weight of 466.58 g/mol, XLogP of 7.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5',7'-trimethyl-3-(2-phenyl-1H-indol-3-yl)spiro[indene-1,3'-indole]-2'-one is sourced from PubChem (CID 177491213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).