9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine

C57H41N — CID 164774109

IUPAC9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C57H41N/c1-57(2)52-26-13-12-24-48(52)49-32-31-45(37-53(49)57)58(55-34-29-41-19-9-11-23-47(41)56(55)50-25-14-21-40-18-8-10-22-46(40)50)54-33-30-43(38-15-4-3-5-16-38)36-51(54)44-28-27-39-17-6-7-20-42(39)35-44/h3-37H,1-2H3
InChIKeyGJQHMEHZOMFNQV-UHFFFAOYSA-N
MW739.96 g/mol
LogP15.92
Rot. Bonds6

About 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine (PubChem CID 164774109) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
PubChem CID164774109
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC Name9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C57H41N/c1-57(2)52-26-13-12-24-48(52)49-32-31-45(37-53(49)57)58(55-34-29-41-19-9-11-23-47(41)56(55)50-25-14-21-40-18-8-10-22-46(40)50)54-33-30-43(38-15-4-3-5-16-38)36-51(54)44-28-27-39-17-6-7-20-42(39)35-44/h3-37H,1-2H3
InChIKeyGJQHMEHZOMFNQV-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-4-yl-2-phenylphenyl)fluoren-2-amine
CID 154950397
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine (CID 164774109) is 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccc4ccccc4c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine?
The InChIKey is GJQHMEHZOMFNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-57(2)52-26-13-12-24-48(52)49-32-31-45(37-53(49)57)58(55-34-29-41-19-9-11-23-47(41)56(55)50-25-14-21-40-18-8-10-22-46(40)50)54-33-30-43(38-15-4-3-5-16-38)36-51(54)44-28-27-39-17-6-7-20-42(39)35-44/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine has a molecular weight of 739.96 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164774109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).