N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline

C60H47N — CID 174306376

IUPACN-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C60H47N/c1-59(2)54-21-11-7-18-49(54)51-34-28-44(38-56(51)59)40-24-30-46(31-25-40)61(58-23-13-9-17-48(58)42-14-4-3-5-15-42)47-32-26-41(27-33-47)45-29-35-52-50-19-8-12-22-55(50)60(57(52)39-45)37-36-43-16-6-10-20-53(43)60/h3-6,8-17,19-35,38-39H,7,18,36-37H2,1-2H3
InChIKeyUWVFIXBHDDVCSJ-UHFFFAOYSA-N
MW782.04 g/mol
LogP15.81
Rot. Bonds6

About N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline

N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 174306376) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
PubChem CID174306376
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC NameN-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C60H47N/c1-59(2)54-21-11-7-18-49(54)51-34-28-44(38-56(51)59)40-24-30-46(31-25-40)61(58-23-13-9-17-48(58)42-14-4-3-5-15-42)47-32-26-41(27-33-47)45-29-35-52-50-19-8-12-22-55(50)60(57(52)39-45)37-36-43-16-6-10-20-53(43)60/h3-6,8-17,19-35,38-39H,7,18,36-37H2,1-2H3
InChIKeyUWVFIXBHDDVCSJ-UHFFFAOYSA-N
XLogP15.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline 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-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217849
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217336
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-3,4-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 178165565
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline (CID 174306376) is N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline is CC1(C)C2=C(CCC=C2)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCc7ccccc75)c5ccccc5-6)cc4)c4ccccc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline?
The InChIKey is UWVFIXBHDDVCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)54-21-11-7-18-49(54)51-34-28-44(38-56(51)59)40-24-30-46(31-25-40)61(58-23-13-9-17-48(58)42-14-4-3-5-15-42)47-32-26-41(27-33-47)45-29-35-52-50-19-8-12-22-55(50)60(57(52)39-45)37-36-43-16-6-10-20-53(43)60/h3-6,8-17,19-35,38-39H,7,18,36-37H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline?
N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 782.04 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 174306376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).