N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C48H44N2 — CID 146523029

IUPACN-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc3)cc21
InChIInChI=1S/C48H44N2/c1-48(2)46-14-7-6-13-44(46)45-24-23-41(31-47(45)48)49(38-19-15-35(16-20-38)34-9-4-3-5-10-34)39-21-17-36(18-22-39)37-11-8-12-40(30-37)50-42-26-32-25-33(28-42)29-43(50)27-32/h3-24,30-33,42-43H,25-29H2,1-2H3
InChIKeyPVUZWZOFUFPCRU-UHFFFAOYSA-N
MW648.89 g/mol
LogP12.56
Rot. Bonds6

About N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 146523029) has the molecular formula C48H44N2 and a molecular weight of 648.89 g/mol. Its IUPAC name is N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID146523029
Molecular FormulaC48H44N2
Molecular Weight648.89 g/mol
Exact Mass648.35
IUPAC NameN-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc3)cc21
InChIInChI=1S/C48H44N2/c1-48(2)46-14-7-6-13-44(46)45-24-23-41(31-47(45)48)49(38-19-15-35(16-20-38)34-9-4-3-5-10-34)39-21-17-36(18-22-39)37-11-8-12-40(30-37)50-42-26-32-25-33(28-42)29-43(50)27-32/h3-24,30-33,42-43H,25-29H2,1-2H3
InChIKeyPVUZWZOFUFPCRU-UHFFFAOYSA-N
XLogP12.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.89
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744555
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 146523029) is N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(N5C6CC7CC(C6)CC5C7)c4)cc3)cc21.
What is the InChIKey of N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PVUZWZOFUFPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2/c1-48(2)46-14-7-6-13-44(46)45-24-23-41(31-47(45)48)49(38-19-15-35(16-20-38)34-9-4-3-5-10-34)39-21-17-36(18-22-39)37-11-8-12-40(30-37)50-42-26-32-25-33(28-42)29-43(50)27-32/h3-24,30-33,42-43H,25-29H2,1-2H3.
What are the key properties of N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 648.89 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 146523029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).