2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline

C68H49N — CID 171453283

IUPAC2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C68H49N/c1-67(53-21-5-3-6-22-53)62-29-14-11-27-58(62)60-40-36-51(44-64(60)67)47-34-38-55(39-35-47)69(56-25-17-20-49(43-56)50-33-32-46-18-9-10-19-48(46)42-50)66-31-16-13-26-57(66)52-37-41-61-59-28-12-15-30-63(59)68(2,65(61)45-52)54-23-7-4-8-24-54/h3-45H,1-2H3
InChIKeyKWMDUPKDCRICQV-UHFFFAOYSA-N
MW880.15 g/mol
LogP17.98
Rot. Bonds8

About 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline

2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline (PubChem CID 171453283) has the molecular formula C68H49N and a molecular weight of 880.15 g/mol. Its IUPAC name is 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
PubChem CID171453283
Molecular FormulaC68H49N
Molecular Weight880.15 g/mol
Exact Mass879.39
IUPAC Name2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C68H49N/c1-67(53-21-5-3-6-22-53)62-29-14-11-27-58(62)60-40-36-51(44-64(60)67)47-34-38-55(39-35-47)69(56-25-17-20-49(43-56)50-33-32-46-18-9-10-19-48(46)42-50)66-31-16-13-26-57(66)52-37-41-61-59-28-12-15-30-63(59)68(2,65(61)45-52)54-23-7-4-8-24-54/h3-45H,1-2H3
InChIKeyKWMDUPKDCRICQV-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.15
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 171453618
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106
9-methyl-7-naphthalen-2-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118500390
N-(9,9-dimethylfluoren-2-yl)-9-methyl-7-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118188570
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020008
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
3-[9-methyl-9-[4-[3-[2-[4-[N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]fluoren-4-yl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170114098

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline (CID 171453283) is 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4-c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
The InChIKey is KWMDUPKDCRICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N/c1-67(53-21-5-3-6-22-53)62-29-14-11-27-58(62)60-40-36-51(44-64(60)67)47-34-38-55(39-35-47)69(56-25-17-20-49(43-56)50-33-32-46-18-9-10-19-48(46)42-50)66-31-16-13-26-57(66)52-37-41-61-59-28-12-15-30-63(59)68(2,65(61)45-52)54-23-7-4-8-24-54/h3-45H,1-2H3.
What are the key properties of 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline?
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline has a molecular weight of 880.15 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 171453283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).