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

C57H43N — CID 168788466

IUPACN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)52-32-15-14-29-51(52)55-49(30-17-33-53(55)57)44-25-16-26-46(39-44)58(45-37-35-41(36-38-45)40-19-6-3-7-20-40)54-34-18-31-48(43-23-10-5-11-24-43)56(54)50-28-13-12-27-47(50)42-21-8-4-9-22-42/h3-39H,1-2H3
InChIKeyRDMDCWGMYYYBRT-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

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

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 168788466) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID168788466
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)52-32-15-14-29-51(52)55-49(30-17-33-53(55)57)44-25-16-26-46(39-44)58(45-37-35-41(36-38-45)40-19-6-3-7-20-40)54-34-18-31-48(43-23-10-5-11-24-43)56(54)50-28-13-12-27-47(50)42-21-8-4-9-22-42/h3-39H,1-2H3
InChIKeyRDMDCWGMYYYBRT-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789021
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790722

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 168788466) is N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c3)cccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is RDMDCWGMYYYBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)52-32-15-14-29-51(52)55-49(30-17-33-53(55)57)44-25-16-26-46(39-44)58(45-37-35-41(36-38-45)40-19-6-3-7-20-40)54-34-18-31-48(43-23-10-5-11-24-43)56(54)50-28-13-12-27-47(50)42-21-8-4-9-22-42/h3-39H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline?
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168788466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).