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

C63H49N — CID 168802242

IUPACN-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C63H49N/c1-62(2,3)50-39-34-46(35-40-50)47-36-41-53(42-37-47)64(59-43-38-48-20-13-14-25-54(48)60(59)49-32-30-45(31-33-49)44-18-7-4-8-19-44)58-29-17-28-57-61(58)55-26-15-16-27-56(55)63(57,51-21-9-5-10-22-51)52-23-11-6-12-24-52/h4-43H,1-3H3
InChIKeyOLXXDIMYCDPFFH-UHFFFAOYSA-N
MW820.09 g/mol
LogP16.97
Rot. Bonds8

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

N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine (PubChem CID 168802242) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
PubChem CID168802242
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C63H49N/c1-62(2,3)50-39-34-46(35-40-50)47-36-41-53(42-37-47)64(59-43-38-48-20-13-14-25-54(48)60(59)49-32-30-45(31-33-49)44-18-7-4-8-19-44)58-29-17-28-57-61(58)55-26-15-16-27-56(55)63(57,51-21-9-5-10-22-51)52-23-11-6-12-24-52/h4-43H,1-3H3
InChIKeyOLXXDIMYCDPFFH-UHFFFAOYSA-N
XLogP16.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(2-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-4-amine
CID 168801881
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 159690368
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
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-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine (CID 168802242) is N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine is CC(C)(C)c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine?
The InChIKey is OLXXDIMYCDPFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-62(2,3)50-39-34-46(35-40-50)47-36-41-53(42-37-47)64(59-43-38-48-20-13-14-25-54(48)60(59)49-32-30-45(31-33-49)44-18-7-4-8-19-44)58-29-17-28-57-61(58)55-26-15-16-27-56(55)63(57,51-21-9-5-10-22-51)52-23-11-6-12-24-52/h4-43H,1-3H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine?
N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine has a molecular weight of 820.09 g/mol, XLogP of 16.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine is sourced from PubChem (CID 168802242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).