2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline

C68H61N — CID 170303548

IUPAC2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)c1
InChIInChI=1S/C68H61N/c1-44-30-37-64(61(38-44)60-28-17-21-47-20-16-27-57(65(47)60)50-39-51(66(2,3)4)43-52(40-50)67(5,6)7)69(54-23-14-22-49(41-54)56-26-15-19-46-18-10-11-24-55(46)56)53-34-31-45(32-35-53)48-33-36-59-58-25-12-13-29-62(58)68(8,9)63(59)42-48/h10-43H,1-9H3
InChIKeyVPMCWMQGQVXFBB-UHFFFAOYSA-N
MW892.24 g/mol
LogP19.34
Rot. Bonds7

About 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline

2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 170303548) has the molecular formula C68H61N and a molecular weight of 892.24 g/mol. Its IUPAC name is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID170303548
Molecular FormulaC68H61N
Molecular Weight892.24 g/mol
Exact Mass891.48
IUPAC Name2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)c1
InChIInChI=1S/C68H61N/c1-44-30-37-64(61(38-44)60-28-17-21-47-20-16-27-57(65(47)60)50-39-51(66(2,3)4)43-52(40-50)67(5,6)7)69(54-23-14-22-49(41-54)56-26-15-19-46-18-10-11-24-55(46)56)53-34-31-45(32-35-53)48-33-36-59-58-25-12-13-29-62(58)68(8,9)63(59)42-48/h10-43H,1-9H3
InChIKeyVPMCWMQGQVXFBB-UHFFFAOYSA-N
XLogP19.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.24
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170303557
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303978
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170304124
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170304094
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-(3-phenanthren-1-ylphenyl)-N-phenylaniline
CID 170290977

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline (CID 170303548) is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline is Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)c1.
What is the InChIKey of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is VPMCWMQGQVXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61N/c1-44-30-37-64(61(38-44)60-28-17-21-47-20-16-27-57(65(47)60)50-39-51(66(2,3)4)43-52(40-50)67(5,6)7)69(54-23-14-22-49(41-54)56-26-15-19-46-18-10-11-24-55(46)56)53-34-31-45(32-35-53)48-33-36-59-58-25-12-13-29-62(58)68(8,9)63(59)42-48/h10-43H,1-9H3.
What are the key properties of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline?
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 892.24 g/mol, XLogP of 19.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170303548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).