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

C57H43N — CID 168790921

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)50-35-17-14-32-49(50)55-48(34-20-36-51(55)57)46-30-16-19-38-53(46)58(52-37-18-15-29-44(52)41-24-8-4-9-25-41)54-39-21-33-45(42-26-10-5-11-27-42)56(54)47-31-13-12-28-43(47)40-22-6-3-7-23-40/h3-39H,1-2H3
InChIKeyXBRQIOAPMNZOQK-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

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

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline (PubChem CID 168790921) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
PubChem CID168790921
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)50-35-17-14-32-49(50)55-48(34-20-36-51(55)57)46-30-16-19-38-53(46)58(52-37-18-15-29-44(52)41-24-8-4-9-25-41)54-39-21-33-45(42-26-10-5-11-27-42)56(54)47-31-13-12-28-43(47)40-22-6-3-7-23-40/h3-39H,1-2H3
InChIKeyXBRQIOAPMNZOQK-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

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168788977
9,9-dimethyl-N-naphthalen-1-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790541
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789021
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790837
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788412

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline (CID 168790921) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline?
The InChIKey is XBRQIOAPMNZOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)50-35-17-14-32-49(50)55-48(34-20-36-51(55)57)46-30-16-19-38-53(46)58(52-37-18-15-29-44(52)41-24-8-4-9-25-41)54-39-21-33-45(42-26-10-5-11-27-42)56(54)47-31-13-12-28-43(47)40-22-6-3-7-23-40/h3-39H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline is sourced from PubChem (CID 168790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).