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

C63H47N — CID 170216191

IUPAC3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c21
InChIInChI=1S/C63H47N/c1-62(2)58-28-11-9-24-55(58)57-27-15-26-53(61(57)62)46-18-13-21-50(40-46)64(49-37-32-44(33-38-49)52-25-14-17-43-16-7-8-22-51(43)52)48-35-30-42(31-36-48)45-34-39-56-54-23-10-12-29-59(54)63(3,60(56)41-45)47-19-5-4-6-20-47/h4-41H,1-3H3
InChIKeyRVMDLCVRDAUXDN-UHFFFAOYSA-N
MW818.08 g/mol
LogP16.95
Rot. Bonds7

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

3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 170216191) has the molecular formula C63H47N and a molecular weight of 818.08 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID170216191
Molecular FormulaC63H47N
Molecular Weight818.08 g/mol
Exact Mass817.37
IUPAC Name3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c21
InChIInChI=1S/C63H47N/c1-62(2)58-28-11-9-24-55(58)57-27-15-26-53(61(57)62)46-18-13-21-50(40-46)64(49-37-32-44(33-38-49)52-25-14-17-43-16-7-8-22-51(43)52)48-35-30-42(31-36-48)45-34-39-56-54-23-10-12-29-59(54)63(3,60(56)41-45)47-19-5-4-6-20-47/h4-41H,1-3H3
InChIKeyRVMDLCVRDAUXDN-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-[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-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
CID 170217607
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 170215627
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-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
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-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
CID 170215504

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline (CID 170216191) is 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c21.
What is the InChIKey of 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is RVMDLCVRDAUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N/c1-62(2)58-28-11-9-24-55(58)57-27-15-26-53(61(57)62)46-18-13-21-50(40-46)64(49-37-32-44(33-38-49)52-25-14-17-43-16-7-8-22-51(43)52)48-35-30-42(31-36-48)45-34-39-56-54-23-10-12-29-59(54)63(3,60(56)41-45)47-19-5-4-6-20-47/h4-41H,1-3H3.
What are the key properties of 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline?
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline 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 3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170216191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).