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

C61H45N — CID 168789559

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C61H45N/c1-61(2)56-32-15-13-29-53(56)54-38-37-48(41-57(54)61)51-28-14-16-33-58(51)62(49-26-17-25-46(40-49)47-36-35-42-19-9-10-24-45(42)39-47)59-34-18-31-52(44-22-7-4-8-23-44)60(59)55-30-12-11-27-50(55)43-20-5-3-6-21-43/h3-41H,1-2H3
InChIKeyVEWKSBLJGXYYKN-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

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

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168789559) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168789559
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C61H45N/c1-61(2)56-32-15-13-29-53(56)54-38-37-48(41-57(54)61)51-28-14-16-33-58(51)62(49-26-17-25-46(40-49)47-36-35-42-19-9-10-24-45(42)39-47)59-34-18-31-52(44-22-7-4-8-23-44)60(59)55-30-12-11-27-50(55)43-20-5-3-6-21-43/h3-41H,1-2H3
InChIKeyVEWKSBLJGXYYKN-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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790731
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168789950
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168789559) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is VEWKSBLJGXYYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)56-32-15-13-29-53(56)54-38-37-48(41-57(54)61)51-28-14-16-33-58(51)62(49-26-17-25-46(40-49)47-36-35-42-19-9-10-24-45(42)39-47)59-34-18-31-52(44-22-7-4-8-23-44)60(59)55-30-12-11-27-50(55)43-20-5-3-6-21-43/h3-41H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-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-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).