N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine

C60H49N — CID 168802156

IUPACN-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C60H49N/c1-58(2)53-27-17-15-25-49(53)51-39-46(34-36-54(51)58)61(45-32-30-44(31-33-45)60(5,42-19-8-6-9-20-42)43-21-10-7-11-22-43)56-37-29-40-18-12-13-23-47(40)57(56)41-28-35-50-48-24-14-16-26-52(48)59(3,4)55(50)38-41/h6-39H,1-5H3
InChIKeyFQCMLFDKZXRIOU-UHFFFAOYSA-N
MW784.06 g/mol
LogP15.94
Rot. Bonds7

About N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine

N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 168802156) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID168802156
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC NameN-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C60H49N/c1-58(2)53-27-17-15-25-49(53)51-39-46(34-36-54(51)58)61(45-32-30-44(31-33-45)60(5,42-19-8-6-9-20-42)43-21-10-7-11-22-43)56-37-29-40-18-12-13-23-47(40)57(56)41-28-35-50-48-24-14-16-26-52(48)59(3,4)55(50)38-41/h6-39H,1-5H3
InChIKeyFQCMLFDKZXRIOU-UHFFFAOYSA-N
XLogP15.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
CID 168802159
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
CID 168802239
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
8-tert-butyl-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-spiro[benzo[b]fluorene-11,9'-fluorene]-3-yldibenzothiophen-3-amine
CID 168801844

Frequently Asked Questions

What is the IUPAC name of N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine (CID 168802156) is N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is FQCMLFDKZXRIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N/c1-58(2)53-27-17-15-25-49(53)51-39-46(34-36-54(51)58)61(45-32-30-44(31-33-45)60(5,42-19-8-6-9-20-42)43-21-10-7-11-22-43)56-37-29-40-18-12-13-23-47(40)57(56)41-28-35-50-48-24-14-16-26-52(48)59(3,4)55(50)38-41/h6-39H,1-5H3.
What are the key properties of N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 784.06 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).