9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine

C73H55N — CID 168933165

IUPAC9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine
SMILESCc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C73H55N/c1-49-34-35-54(51-22-9-5-10-23-51)47-67(49)72-56(26-19-32-60(72)53-24-11-6-12-25-53)46-55-38-42-63(61-28-14-13-27-59(55)61)64-43-45-71(66-31-16-15-29-62(64)66)74(57-39-36-52(37-40-57)50-20-7-4-8-21-50)58-41-44-70-68(48-58)65-30-17-18-33-69(65)73(70,2)3/h4-45,47-48H,46H2,1-3H3
InChIKeyUHCNVDRKZODMJA-UHFFFAOYSA-N
MW946.25 g/mol
LogP20.00
Rot. Bonds10

About 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine

9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 168933165) has the molecular formula C73H55N and a molecular weight of 946.25 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID168933165
Molecular FormulaC73H55N
Molecular Weight946.25 g/mol
Exact Mass945.43
IUPAC Name9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine
SMILESCc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1
InChIInChI=1S/C73H55N/c1-49-34-35-54(51-22-9-5-10-23-51)47-67(49)72-56(26-19-32-60(72)53-24-11-6-12-25-53)46-55-38-42-63(61-28-14-13-27-59(55)61)64-43-45-71(66-31-16-15-29-62(64)66)74(57-39-36-52(37-40-57)50-20-7-4-8-21-50)58-41-44-70-68(48-58)65-30-17-18-33-69(65)73(70,2)3/h4-45,47-48H,46H2,1-3H3
InChIKeyUHCNVDRKZODMJA-UHFFFAOYSA-N
XLogP20.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.25
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
CID 162723202
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]fluoren-2-amine
CID 130379595
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168789629
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-10-phenylbenzo[a]phenalen-1-amine
CID 167232240
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 156558367
N-[3-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 170665738
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
8-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373636

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine (CID 168933165) is 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine is Cc1ccc(-c2ccccc2)cc1-c1c(Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc34)c3ccccc23)cccc1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is UHCNVDRKZODMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N/c1-49-34-35-54(51-22-9-5-10-23-51)47-67(49)72-56(26-19-32-60(72)53-24-11-6-12-25-53)46-55-38-42-63(61-28-14-13-27-59(55)61)64-43-45-71(66-31-16-15-29-62(64)66)74(57-39-36-52(37-40-57)50-20-7-4-8-21-50)58-41-44-70-68(48-58)65-30-17-18-33-69(65)73(70,2)3/h4-45,47-48H,46H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine?
9,9-dimethyl-N-[4-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 946.25 g/mol, XLogP of 20.00, 10 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-[4-[[2-(2-methyl-5-phenylphenyl)-3-phenylphenyl]methyl]naphthalen-1-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 168933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).