N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C66H47N — CID 169019655

IUPACN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc21
InChIInChI=1S/C66H47N/c1-66(55-23-6-3-7-24-55)63-30-11-10-27-62(63)65-61(29-15-31-64(65)66)51-38-42-57(43-39-51)67(56-40-36-48(37-41-56)53-21-12-20-52(44-53)46-16-4-2-5-17-46)58-25-13-22-54(45-58)47-32-34-50(35-33-47)60-28-14-19-49-18-8-9-26-59(49)60/h2-45H,1H3
InChIKeyYSHQEZLFXNCPDI-UHFFFAOYSA-N
MW854.11 g/mol
LogP17.98
Rot. Bonds9

About N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 169019655) has the molecular formula C66H47N and a molecular weight of 854.11 g/mol. Its IUPAC name is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID169019655
Molecular FormulaC66H47N
Molecular Weight854.11 g/mol
Exact Mass853.37
IUPAC NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc21
InChIInChI=1S/C66H47N/c1-66(55-23-6-3-7-24-55)63-30-11-10-27-62(63)65-61(29-15-31-64(65)66)51-38-42-57(43-39-51)67(56-40-36-48(37-41-56)53-21-12-20-52(44-53)46-16-4-2-5-17-46)58-25-13-22-54(45-58)47-32-34-50(35-33-47)60-28-14-19-49-18-8-9-26-59(49)60/h2-45H,1H3
InChIKeyYSHQEZLFXNCPDI-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.11
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
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
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
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 169020312
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169019629
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,3-bis(4-naphthalen-1-ylphenyl)aniline
CID 169019530
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 171453203

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 169019655) is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc21.
What is the InChIKey of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is YSHQEZLFXNCPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N/c1-66(55-23-6-3-7-24-55)63-30-11-10-27-62(63)65-61(29-15-31-64(65)66)51-38-42-57(43-39-51)67(56-40-36-48(37-41-56)53-21-12-20-52(44-53)46-16-4-2-5-17-46)58-25-13-22-54(45-58)47-32-34-50(35-33-47)60-28-14-19-49-18-8-9-26-59(49)60/h2-45H,1H3.
What are the key properties of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 854.11 g/mol, XLogP of 17.98, 9 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]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 169019655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).