N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

C55H41N — CID 164744877

IUPACN-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C55H41N/c1-55(2)53-14-8-7-13-49(53)37-54(55)44-27-33-52(34-28-44)56(51-31-25-43(26-32-51)48-22-20-39-10-4-6-12-46(39)36-48)50-29-23-41(24-30-50)40-15-17-42(18-16-40)47-21-19-38-9-3-5-11-45(38)35-47/h3-37H,1-2H3
InChIKeyTWSKHVLCWAMKNF-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.30
Rot. Bonds7

About N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 164744877) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID164744877
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C55H41N/c1-55(2)53-14-8-7-13-49(53)37-54(55)44-27-33-52(34-28-44)56(51-31-25-43(26-32-51)48-22-20-39-10-4-6-12-46(39)36-48)50-29-23-41(24-30-50)40-15-17-42(18-16-40)47-21-19-38-9-3-5-11-45(38)35-47/h3-37H,1-2H3
InChIKeyTWSKHVLCWAMKNF-UHFFFAOYSA-N
XLogP15.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744580
N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
CID 164744849
4-[4-(5,5-dimethylcyclopenta[b]pyridin-6-yl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744832
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672
3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine
CID 164744460
1,1-dimethyl-N,N-bis[4-(4-naphthalen-2-ylphenyl)phenyl]inden-5-amine
CID 164744618
N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
CID 164744844
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (CID 164744877) is N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline is CC1(C)C(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=Cc2ccccc21.
What is the InChIKey of N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is TWSKHVLCWAMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)53-14-8-7-13-49(53)37-54(55)44-27-33-52(34-28-44)56(51-31-25-43(26-32-51)48-22-20-39-10-4-6-12-46(39)36-48)50-29-23-41(24-30-50)40-15-17-42(18-16-40)47-21-19-38-9-3-5-11-45(38)35-47/h3-37H,1-2H3.
What are the key properties of N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 715.94 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 164744877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).