9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole

C49H33NO2 — CID 118860674

IUPAC9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
SMILESC1=CCC2C(=C1)Oc1ccccc1C21c2ccc(-c3ccccc3)cc2Oc2cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21
InChIInChI=1S/C49H33NO2/c1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h1-21,23-31,40H,22H2
InChIKeyZOJTWISMXHWNAA-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.41
Rot. Bonds3

About 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole

9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole (PubChem CID 118860674) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
PubChem CID118860674
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC Name9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
SMILESC1=CCC2C(=C1)Oc1ccccc1C21c2ccc(-c3ccccc3)cc2Oc2cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21
InChIInChI=1S/C49H33NO2/c1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h1-21,23-31,40H,22H2
InChIKeyZOJTWISMXHWNAA-UHFFFAOYSA-N
XLogP12.41
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole with MolForge

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

Launch Full Analysis

Related Compounds

9-phenyl-1-(1'-phenyl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-1-(2-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole
CID 157405782
9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-phenyl-2-(2-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)pyrimidine
CID 130379515
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-phenyl-2-(6'-phenylspiro[1,2,8,8a-tetrahydroxanthene-9,9'-7,8-dihydroxanthene]-2'-yl)carbazole
CID 118861144
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole?
The IUPAC name of 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole (CID 118860674) is 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole.
What is the SMILES notation for 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole?
The canonical SMILES for 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole is C1=CCC2C(=C1)Oc1ccccc1C21c2ccc(-c3ccccc3)cc2Oc2cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21.
What is the InChIKey of 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole?
The InChIKey is ZOJTWISMXHWNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-3-14-32(15-4-1)33-26-28-41-46(30-33)52-47-31-34(27-29-42(47)49(41)39-21-8-11-24-44(39)51-45-25-12-9-22-40(45)49)36-19-13-20-38-37-18-7-10-23-43(37)50(48(36)38)35-16-5-2-6-17-35/h1-21,23-31,40H,22H2.
What are the key properties of 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole?
9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole has a molecular weight of 667.81 g/mol, XLogP of 12.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole is sourced from PubChem (CID 118860674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).