9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine

C53H39N — CID 139355267

IUPAC9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)ccc21
InChIInChI=1S/C53H39N/c1-53(2)51-22-11-10-20-48(51)50-35-44(31-32-52(50)53)54(42-27-23-38(24-28-42)46-21-12-17-37-15-6-8-18-45(37)46)43-29-25-39(26-30-43)49-34-41(36-13-4-3-5-14-36)33-40-16-7-9-19-47(40)49/h3-35H,1-2H3
InChIKeyXSCBEXBDZRLGEH-UHFFFAOYSA-N
MW689.90 g/mol
LogP14.77
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine (PubChem CID 139355267) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
PubChem CID139355267
Molecular FormulaC53H39N
Molecular Weight689.90 g/mol
Exact Mass689.31
IUPAC Name9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)ccc21
InChIInChI=1S/C53H39N/c1-53(2)51-22-11-10-20-48(51)50-35-44(31-32-52(50)53)54(42-27-23-38(24-28-42)46-21-12-17-37-15-6-8-18-45(37)46)43-29-25-39(26-30-43)49-34-41(36-13-4-3-5-14-36)33-40-16-7-9-19-47(40)49/h3-35H,1-2H3
InChIKeyXSCBEXBDZRLGEH-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167181893
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
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-[4-(9,9-dimethyl-4-phenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 131994078
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(3,4-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 161245127
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
CID 140919922
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine (CID 139355267) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine?
The InChIKey is XSCBEXBDZRLGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)51-22-11-10-20-48(51)50-35-44(31-32-52(50)53)54(42-27-23-38(24-28-42)46-21-12-17-37-15-6-8-18-45(37)46)43-29-25-39(26-30-43)49-34-41(36-13-4-3-5-14-36)33-40-16-7-9-19-47(40)49/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 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-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 139355267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).