9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole

C49H39NO2 — CID 135159187

IUPAC9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole
SMILESC1=CCC2C(=C1)OC1=C(C=CCC1C1CC=CC3=C1N(c1ccccc1)C1C=CC=CC31)C21c2ccccc2Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H39NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-20,23,25-31,35,37-38,40,43H,21-22,24H2
InChIKeyKGEVHCPVTQQDGO-UHFFFAOYSA-N
MW673.86 g/mol
LogP11.53
Rot. Bonds3

About 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole

9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole (PubChem CID 135159187) has the molecular formula C49H39NO2 and a molecular weight of 673.86 g/mol. Its IUPAC name is 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole.

Molecular Properties

Compound Name9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole
PubChem CID135159187
Molecular FormulaC49H39NO2
Molecular Weight673.86 g/mol
Exact Mass673.30
IUPAC Name9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole
SMILESC1=CCC2C(=C1)OC1=C(C=CCC1C1CC=CC3=C1N(c1ccccc1)C1C=CC=CC31)C21c2ccccc2Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C49H39NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-20,23,25-31,35,37-38,40,43H,21-22,24H2
InChIKeyKGEVHCPVTQQDGO-UHFFFAOYSA-N
XLogP11.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole 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 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole?
The IUPAC name of 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole (CID 135159187) is 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole.
What is the SMILES notation for 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole?
The canonical SMILES for 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole is C1=CCC2C(=C1)OC1=C(C=CCC1C1CC=CC3=C1N(c1ccccc1)C1C=CC=CC31)C21c2ccccc2Oc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole?
The InChIKey is KGEVHCPVTQQDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NO2/c1-3-15-32(16-4-1)33-29-30-46-42(31-33)49(39-23-8-11-27-44(39)51-46)40-24-9-12-28-45(40)52-48-38(22-14-25-41(48)49)37-21-13-20-36-35-19-7-10-26-43(35)50(47(36)37)34-17-5-2-6-18-34/h1-20,23,25-31,35,37-38,40,43H,21-22,24H2.
What are the key properties of 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole?
9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole has a molecular weight of 673.86 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-(2'-phenylspiro[3,4,8,8a-tetrahydroxanthene-9,9'-xanthene]-4-yl)-1,2,4b,8a-tetrahydrocarbazole is sourced from PubChem (CID 135159187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).