N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline

C61H45N — CID 168846186

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)58-33-10-8-29-56(58)57-32-16-31-55(60(57)61)44-35-37-50(38-36-44)62(59-34-11-9-28-54(59)49-25-12-21-45(39-49)42-17-4-3-5-18-42)51-26-14-23-47(41-51)46-22-13-24-48(40-46)53-30-15-20-43-19-6-7-27-52(43)53/h3-41H,1-2H3
InChIKeyVRYLHKXEOPDJJG-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline (PubChem CID 168846186) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
PubChem CID168846186
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)58-33-10-8-29-56(58)57-32-16-31-55(60(57)61)44-35-37-50(38-36-44)62(59-34-11-9-28-54(59)49-25-12-21-45(39-49)42-17-4-3-5-18-42)51-26-14-23-47(41-51)46-22-13-24-48(40-46)53-30-15-20-43-19-6-7-27-52(43)53/h3-41H,1-2H3
InChIKeyVRYLHKXEOPDJJG-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167234037
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167324312
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 170215574

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline (CID 168846186) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c4ccccc4-c4cccc(-c5ccccc5)c4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline?
The InChIKey is VRYLHKXEOPDJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)58-33-10-8-29-56(58)57-32-16-31-55(60(57)61)44-35-37-50(38-36-44)62(59-34-11-9-28-54(59)49-25-12-21-45(39-49)42-17-4-3-5-18-42)51-26-14-23-47(41-51)46-22-13-24-48(40-46)53-30-15-20-43-19-6-7-27-52(43)53/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline has a molecular weight of 792.04 g/mol, XLogP of 16.95, 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-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline is sourced from PubChem (CID 168846186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).