9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

C68H49N — CID 170303937

IUPAC9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C68H49N/c1-67(49-25-8-4-9-26-49)61-36-16-13-31-59(61)66-54(33-20-37-62(66)67)47-39-41-51(42-40-47)69(52-43-44-56-55-29-12-15-35-60(55)68(2,63(56)45-52)50-27-10-5-11-28-50)64-38-17-14-30-57(64)58-34-19-24-48-23-18-32-53(65(48)58)46-21-6-3-7-22-46/h3-45H,1-2H3
InChIKeyKWAZIMWQCHIQOF-UHFFFAOYSA-N
MW880.15 g/mol
LogP17.98
Rot. Bonds8

About 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170303937) has the molecular formula C68H49N and a molecular weight of 880.15 g/mol. Its IUPAC name is 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170303937
Molecular FormulaC68H49N
Molecular Weight880.15 g/mol
Exact Mass879.39
IUPAC Name9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C68H49N/c1-67(49-25-8-4-9-26-49)61-36-16-13-31-59(61)66-54(33-20-37-62(66)67)47-39-41-51(42-40-47)69(52-43-44-56-55-29-12-15-35-60(55)68(2,63(56)45-52)50-27-10-5-11-28-50)64-38-17-14-30-57(64)58-34-19-24-48-23-18-32-53(65(48)58)46-21-6-3-7-22-46/h3-45H,1-2H3
InChIKeyKWAZIMWQCHIQOF-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

N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170217472
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303578
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
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140988
2-dibenzothiophen-1-yl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170302469
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170303937) is 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)c4ccccc4)cc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21.
What is the InChIKey of 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is KWAZIMWQCHIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N/c1-67(49-25-8-4-9-26-49)61-36-16-13-31-59(61)66-54(33-20-37-62(66)67)47-39-41-51(42-40-47)69(52-43-44-56-55-29-12-15-35-60(55)68(2,63(56)45-52)50-27-10-5-11-28-50)64-38-17-14-30-57(64)58-34-19-24-48-23-18-32-53(65(48)58)46-21-6-3-7-22-46/h3-45H,1-2H3.
What are the key properties of 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine 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 9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170303937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).