N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline

C63H47N — CID 170215627

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c21
InChIInChI=1S/C63H47N/c1-62(2)58-22-11-9-19-55(58)57-21-13-20-53(61(57)62)45-30-37-52(38-31-45)64(50-33-26-43(27-34-50)47-25-24-42-14-7-8-15-46(42)40-47)51-35-28-44(29-36-51)48-32-39-56-54-18-10-12-23-59(54)63(3,60(56)41-48)49-16-5-4-6-17-49/h4-41H,1-3H3
InChIKeyVTADVENCNJAMFY-UHFFFAOYSA-N
MW818.08 g/mol
LogP16.95
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline (PubChem CID 170215627) has the molecular formula C63H47N and a molecular weight of 818.08 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
PubChem CID170215627
Molecular FormulaC63H47N
Molecular Weight818.08 g/mol
Exact Mass817.37
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c21
InChIInChI=1S/C63H47N/c1-62(2)58-22-11-9-19-55(58)57-21-13-20-53(61(57)62)45-30-37-52(38-31-45)64(50-33-26-43(27-34-50)47-25-24-42-14-7-8-15-46(42)40-47)51-35-28-44(29-36-51)48-32-39-56-54-18-10-12-23-59(54)63(3,60(56)41-48)49-16-5-4-6-17-49/h4-41H,1-3H3
InChIKeyVTADVENCNJAMFY-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.08
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 170217616
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170217629
N-(9,9-dimethylfluoren-2-yl)-9-methyl-7-naphthalen-2-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118188570
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170217607
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenanthren-1-ylaniline
CID 170215646
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 166565837

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline (CID 170215627) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline?
The InChIKey is VTADVENCNJAMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N/c1-62(2)58-22-11-9-19-55(58)57-21-13-20-53(61(57)62)45-30-37-52(38-31-45)64(50-33-26-43(27-34-50)47-25-24-42-14-7-8-15-46(42)40-47)51-35-28-44(29-36-51)48-32-39-56-54-18-10-12-23-59(54)63(3,60(56)41-48)49-16-5-4-6-17-49/h4-41H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline has a molecular weight of 818.08 g/mol, XLogP of 16.95, 7 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-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline is sourced from PubChem (CID 170215627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).