N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

C57H39N — CID 177113841

IUPACN-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)cc5)cc4)cc32)cc1
InChIInChI=1S/C57H39N/c1-3-13-49(14-4-1)57(50-15-5-2-6-16-50)55-18-10-9-17-53(55)54-34-33-52(38-56(54)57)58-51-31-29-41(30-32-51)40-19-21-42(22-20-40)44-25-26-47-37-48(28-27-46(47)36-44)45-24-23-39-11-7-8-12-43(39)35-45/h1-38,58H
InChIKeyXXQWJDOKFUWWMG-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.10
Rot. Bonds7

About N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 177113841) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
PubChem CID177113841
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)cc5)cc4)cc32)cc1
InChIInChI=1S/C57H39N/c1-3-13-49(14-4-1)57(50-15-5-2-6-16-50)55-18-10-9-17-53(55)54-34-33-52(38-56(54)57)58-51-31-29-41(30-32-51)40-19-21-42(22-20-40)44-25-26-47-37-48(28-27-46(47)36-44)45-24-23-39-11-7-8-12-43(39)35-45/h1-38,58H
InChIKeyXXQWJDOKFUWWMG-UHFFFAOYSA-N
XLogP15.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
9,9-diphenyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 175823474
dibenzothiophene;9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480827
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (CID 177113841) is N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccc(-c5ccc(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)cc5)cc4)cc32)cc1.
What is the InChIKey of N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?
The InChIKey is XXQWJDOKFUWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-3-13-49(14-4-1)57(50-15-5-2-6-16-50)55-18-10-9-17-53(55)54-34-33-52(38-56(54)57)58-51-31-29-41(30-32-51)40-19-21-42(22-20-40)44-25-26-47-37-48(28-27-46(47)36-44)45-24-23-39-11-7-8-12-43(39)35-45/h1-38,58H.
What are the key properties of N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 737.95 g/mol, XLogP of 15.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 177113841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).