5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C46H28N2O — CID 129133163

IUPAC5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-14-29(15-3-1)33-27-45(47-40-22-10-5-17-31(33)40)48-41-23-11-6-18-32(41)35-26-34-30-16-4-7-19-36(30)46(39(34)28-42(35)48)37-20-8-12-24-43(37)49-44-25-13-9-21-38(44)46/h1-28H
InChIKeyNANTYYFINPSOQJ-UHFFFAOYSA-N
MW624.74 g/mol
LogP11.47
Rot. Bonds2

About 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 129133163) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID129133163
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3ccccc23)cc1
InChIInChI=1S/C46H28N2O/c1-2-14-29(15-3-1)33-27-45(47-40-22-10-5-17-31(33)40)48-41-23-11-6-18-32(41)35-26-34-30-16-4-7-19-36(30)46(39(34)28-42(35)48)37-20-8-12-24-43(37)49-44-25-13-9-21-38(44)46/h1-28H
InChIKeyNANTYYFINPSOQJ-UHFFFAOYSA-N
XLogP11.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 129133163) is 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)nc3ccccc23)cc1.
What is the InChIKey of 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is NANTYYFINPSOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-14-29(15-3-1)33-27-45(47-40-22-10-5-17-31(33)40)48-41-23-11-6-18-32(41)35-26-34-30-16-4-7-19-36(30)46(39(34)28-42(35)48)37-20-8-12-24-43(37)49-44-25-13-9-21-38(44)46/h1-28H.
What are the key properties of 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 624.74 g/mol, XLogP of 11.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylquinolin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 129133163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).