2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline

C49H37NO — CID 146495577

IUPAC2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
SMILESCC1(C)C2=C(CCC=C2)C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)ccc21
InChIInChI=1S/C49H37NO/c1-48(2)38-17-7-8-18-40(38)49(41-19-9-12-22-46(41)51-47-23-13-10-20-42(47)49)43-30-35(28-29-39(43)48)32-24-26-34(27-25-32)45-31-37(33-14-4-3-5-15-33)36-16-6-11-21-44(36)50-45/h3-7,9-17,19-31H,8,18H2,1-2H3
InChIKeyMTTQGLRHGIEKIT-UHFFFAOYSA-N
MW655.84 g/mol
LogP12.61
Rot. Bonds3

About 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline

2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline (PubChem CID 146495577) has the molecular formula C49H37NO and a molecular weight of 655.84 g/mol. Its IUPAC name is 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline.

Molecular Properties

Compound Name2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
PubChem CID146495577
Molecular FormulaC49H37NO
Molecular Weight655.84 g/mol
Exact Mass655.29
IUPAC Name2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
SMILESCC1(C)C2=C(CCC=C2)C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)ccc21
InChIInChI=1S/C49H37NO/c1-48(2)38-17-7-8-18-40(38)49(41-19-9-12-22-46(41)51-47-23-13-10-20-42(47)49)43-30-35(28-29-39(43)48)32-24-26-34(27-25-32)45-31-37(33-14-4-3-5-15-33)36-16-6-11-21-44(36)50-45/h3-7,9-17,19-31H,8,18H2,1-2H3
InChIKeyMTTQGLRHGIEKIT-UHFFFAOYSA-N
XLogP12.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.84
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline 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

2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
2-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-4-phenylquinazoline
CID 166996088
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442616
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443161
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 155442470
2-dibenzothiophen-3-yl-4-(10,10-dimethylspiro[anthracene-9,9'-xanthene]-2-yl)-6-phenylpyrimidine
CID 146495613
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline?
The IUPAC name of 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline (CID 146495577) is 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline.
What is the SMILES notation for 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline?
The canonical SMILES for 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline is CC1(C)C2=C(CCC=C2)C2(c3ccccc3Oc3ccccc32)c2cc(-c3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)ccc21.
What is the InChIKey of 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline?
The InChIKey is MTTQGLRHGIEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NO/c1-48(2)38-17-7-8-18-40(38)49(41-19-9-12-22-46(41)51-47-23-13-10-20-42(47)49)43-30-35(28-29-39(43)48)32-24-26-34(27-25-32)45-31-37(33-14-4-3-5-15-33)36-16-6-11-21-44(36)50-45/h3-7,9-17,19-31H,8,18H2,1-2H3.
What are the key properties of 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline?
2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline has a molecular weight of 655.84 g/mol, XLogP of 12.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline is sourced from PubChem (CID 146495577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).