N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C65H47N — CID 170303519

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C65H47N/c1-65(2)58-36-12-9-30-57(58)64-52(33-19-37-59(64)65)46-40-42-49(43-41-46)66(60-38-13-10-28-53(60)55-34-17-26-47-24-15-31-50(62(47)55)44-20-5-3-6-21-44)61-39-14-11-29-54(61)56-35-18-27-48-25-16-32-51(63(48)56)45-22-7-4-8-23-45/h3-43H,1-2H3
InChIKeyVUALMDDVBJBKEG-UHFFFAOYSA-N
MW842.10 g/mol
LogP18.10
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170303519) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170303519
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C65H47N/c1-65(2)58-36-12-9-30-57(58)64-52(33-19-37-59(64)65)46-40-42-49(43-41-46)66(60-38-13-10-28-53(60)55-34-17-26-47-24-15-31-50(62(47)55)44-20-5-3-6-21-44)61-39-14-11-29-54(61)56-35-18-27-48-25-16-32-51(63(48)56)45-22-7-4-8-23-45/h3-43H,1-2H3
InChIKeyVUALMDDVBJBKEG-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170134948
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-amine
CID 170303543
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170303519) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is VUALMDDVBJBKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-65(2)58-36-12-9-30-57(58)64-52(33-19-37-59(64)65)46-40-42-49(43-41-46)66(60-38-13-10-28-53(60)55-34-17-26-47-24-15-31-50(62(47)55)44-20-5-3-6-21-44)61-39-14-11-29-54(61)56-35-18-27-48-25-16-32-51(63(48)56)45-22-7-4-8-23-45/h3-43H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 842.10 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170303519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).