N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

C65H53N — CID 168802051

IUPACN-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H53N/c1-64(2,3)51-36-32-45(33-37-51)44-28-30-46(31-29-44)50-35-40-61(57(42-50)48-20-10-7-11-21-48)66(52-38-39-60-58(43-52)55-25-16-17-27-59(55)65(60,4)5)62-41-34-49-22-12-13-24-54(49)63(62)56-26-15-14-23-53(56)47-18-8-6-9-19-47/h6-43H,1-5H3
InChIKeyYFLGWPAYLOTTGA-UHFFFAOYSA-N
MW848.15 g/mol
LogP18.25
Rot. Bonds8

About N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (PubChem CID 168802051) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
PubChem CID168802051
Molecular FormulaC65H53N
Molecular Weight848.15 g/mol
Exact Mass847.42
IUPAC NameN-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C65H53N/c1-64(2,3)51-36-32-45(33-37-51)44-28-30-46(31-29-44)50-35-40-61(57(42-50)48-20-10-7-11-21-48)66(52-38-39-60-58(43-52)55-25-16-17-27-59(55)65(60,4)5)62-41-34-49-22-12-13-24-54(49)63(62)56-26-15-14-23-53(56)47-18-8-6-9-19-47/h6-43H,1-5H3
InChIKeyYFLGWPAYLOTTGA-UHFFFAOYSA-N
XLogP18.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.15
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168801942
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
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
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
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)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]dibenzothiophen-2-amine
CID 168801734
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-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168802427
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802481
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (CID 168802051) is N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.
What is the SMILES notation for N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The canonical SMILES for N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5ccccc5c4-c4ccccc4-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The InChIKey is YFLGWPAYLOTTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-64(2,3)51-36-32-45(33-37-51)44-28-30-46(31-29-44)50-35-40-61(57(42-50)48-20-10-7-11-21-48)66(52-38-39-60-58(43-52)55-25-16-17-27-59(55)65(60,4)5)62-41-34-49-22-12-13-24-54(49)63(62)56-26-15-14-23-53(56)47-18-8-6-9-19-47/h6-43H,1-5H3.
What are the key properties of N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine has a molecular weight of 848.15 g/mol, XLogP of 18.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is sourced from PubChem (CID 168802051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).