1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole

C43H30N2O — CID 59096367

IUPAC1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole
SMILESCn1c(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4cc5ccccc5n4C)cc32)cc2ccccc21
InChIInChI=1S/C43H30N2O/c1-44-37-16-8-3-11-27(37)25-39(44)29-19-21-32-31-13-5-6-14-33(31)43(35(32)23-29)34-15-7-10-18-41(34)46-42-22-20-30(24-36(42)43)40-26-28-12-4-9-17-38(28)45(40)2/h3-26H,1-2H3
InChIKeyJJSKDMYXZXSTGJ-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.47
Rot. Bonds2

About 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole

1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole (PubChem CID 59096367) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole.

Molecular Properties

Compound Name1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole
PubChem CID59096367
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole
SMILESCn1c(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4cc5ccccc5n4C)cc32)cc2ccccc21
InChIInChI=1S/C43H30N2O/c1-44-37-16-8-3-11-27(37)25-39(44)29-19-21-32-31-13-5-6-14-33(31)43(35(32)23-29)34-15-7-10-18-41(34)46-42-22-20-30(24-36(42)43)40-26-28-12-4-9-17-38(28)45(40)2/h3-26H,1-2H3
InChIKeyJJSKDMYXZXSTGJ-UHFFFAOYSA-N
XLogP10.47
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
CID 59096391
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole?
The IUPAC name of 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole (CID 59096367) is 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole.
What is the SMILES notation for 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole?
The canonical SMILES for 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole is Cn1c(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccc(-c4cc5ccccc5n4C)cc32)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole?
The InChIKey is JJSKDMYXZXSTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-44-37-16-8-3-11-27(37)25-39(44)29-19-21-32-31-13-5-6-14-33(31)43(35(32)23-29)34-15-7-10-18-41(34)46-42-22-20-30(24-36(42)43)40-26-28-12-4-9-17-38(28)45(40)2/h3-26H,1-2H3.
What are the key properties of 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole?
1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole has a molecular weight of 590.73 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2'-(1-methylindol-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]indole is sourced from PubChem (CID 59096367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).