N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

C60H43N — CID 169020125

IUPACN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C60H43N/c1-60(48-20-6-3-7-21-48)56-27-12-10-24-55(56)59-54(26-15-28-57(59)60)47-36-40-50(41-37-47)61(49-38-34-45(35-39-49)52-25-14-19-44-18-8-9-22-51(44)52)58-29-13-11-23-53(58)46-32-30-43(31-33-46)42-16-4-2-5-17-42/h2-41H,1H3
InChIKeyDGYWMARJSQMVQS-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.31
Rot. Bonds8

About N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 169020125) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID169020125
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cccc21
InChIInChI=1S/C60H43N/c1-60(48-20-6-3-7-21-48)56-27-12-10-24-55(56)59-54(26-15-28-57(59)60)47-36-40-50(41-37-47)61(49-38-34-45(35-39-49)52-25-14-19-44-18-8-9-22-51(44)52)58-29-13-11-23-53(58)46-32-30-43(31-33-46)42-16-4-2-5-17-42/h2-41H,1H3
InChIKeyDGYWMARJSQMVQS-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
9-methyl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303515
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
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 N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (CID 169020125) is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cccc21.
What is the InChIKey of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is DGYWMARJSQMVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-60(48-20-6-3-7-21-48)56-27-12-10-24-55(56)59-54(26-15-28-57(59)60)47-36-40-50(41-37-47)61(49-38-34-45(35-39-49)52-25-14-19-44-18-8-9-22-51(44)52)58-29-13-11-23-53(58)46-32-30-43(31-33-46)42-16-4-2-5-17-42/h2-41H,1H3.
What are the key properties of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 778.01 g/mol, XLogP of 16.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 169020125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).