2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine

C61H47N — CID 177067098

IUPAC2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)C)cc4)c4ccccc4-5)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C61H47N/c1-39(2)42-25-27-44(28-26-42)60(43-15-7-5-8-16-43)54-21-13-11-19-48(54)52-33-29-46(37-58(52)60)62(45-17-9-6-10-18-45)47-30-34-53-49-20-12-14-22-55(49)61(59(53)38-47)56-35-40(3)23-31-50(56)51-32-24-41(4)36-57(51)61/h5-39H,1-4H3
InChIKeyCZUQXQXJMRDBSN-UHFFFAOYSA-N
MW794.05 g/mol
LogP15.60
Rot. Bonds6

About 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine

2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 177067098) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID177067098
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC Name2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)C)cc4)c4ccccc4-5)cc31)c1cc(C)ccc1-2
InChIInChI=1S/C61H47N/c1-39(2)42-25-27-44(28-26-42)60(43-15-7-5-8-16-43)54-21-13-11-19-48(54)52-33-29-46(37-58(52)60)62(45-17-9-6-10-18-45)47-30-34-53-49-20-12-14-22-55(49)61(59(53)38-47)56-35-40(3)23-31-50(56)51-32-24-41(4)36-57(51)61/h5-39H,1-4H3
InChIKeyCZUQXQXJMRDBSN-UHFFFAOYSA-N
XLogP15.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-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

2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067292
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine (CID 177067098) is 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)C)cc4)c4ccccc4-5)cc31)c1cc(C)ccc1-2.
What is the InChIKey of 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is CZUQXQXJMRDBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-39(2)42-25-27-44(28-26-42)60(43-15-7-5-8-16-43)54-21-13-11-19-48(54)52-33-29-46(37-58(52)60)62(45-17-9-6-10-18-45)47-30-34-53-49-20-12-14-22-55(49)61(59(53)38-47)56-35-40(3)23-31-50(56)51-32-24-41(4)36-57(51)61/h5-39H,1-4H3.
What are the key properties of 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine?
2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 794.05 g/mol, XLogP of 15.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 177067098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).