9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine

C58H39NO2 — CID 138582947

IUPAC9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)45-25-11-6-19-38(45)41-32-31-37(35-50(41)57)59(36-17-4-3-5-18-36)51-29-15-10-22-42(51)43-24-16-30-52-55(43)61-56-53(60-52)34-33-49-54(56)44-23-9-14-28-48(44)58(49)46-26-12-7-20-39(46)40-21-8-13-27-47(40)58/h3-35H,1-2H3
InChIKeyQSVVYRYLEJEMMV-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.37
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine (PubChem CID 138582947) has the molecular formula C58H39NO2 and a molecular weight of 781.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
PubChem CID138582947
Molecular FormulaC58H39NO2
Molecular Weight781.96 g/mol
Exact Mass781.30
IUPAC Name9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)45-25-11-6-19-38(45)41-32-31-37(35-50(41)57)59(36-17-4-3-5-18-36)51-29-15-10-22-42(51)43-24-16-30-52-55(43)61-56-53(60-52)34-33-49-54(56)44-23-9-14-28-48(44)58(49)46-26-12-7-20-39(46)40-21-8-13-27-47(40)58/h3-35H,1-2H3
InChIKeyQSVVYRYLEJEMMV-UHFFFAOYSA-N
XLogP15.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine 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

N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 121391814
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine (CID 138582947) is 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine?
The InChIKey is QSVVYRYLEJEMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-57(2)45-25-11-6-19-38(45)41-32-31-37(35-50(41)57)59(36-17-4-3-5-18-36)51-29-15-10-22-42(51)43-24-16-30-52-55(43)61-56-53(60-52)34-33-49-54(56)44-23-9-14-28-48(44)58(49)46-26-12-7-20-39(46)40-21-8-13-27-47(40)58/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine has a molecular weight of 781.96 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 138582947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).