N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

C54H40N2 — CID 164744580

IUPACN-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=Cc2ccncc21
InChIInChI=1S/C54H40N2/c1-54(2)52(35-48-31-32-55-36-53(48)54)43-23-29-51(30-24-43)56(50-27-21-42(22-28-50)47-18-16-38-8-4-6-10-45(38)34-47)49-25-19-40(20-26-49)39-11-13-41(14-12-39)46-17-15-37-7-3-5-9-44(37)33-46/h3-36H,1-2H3
InChIKeyUFGOEEKJIDTKJH-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.69
Rot. Bonds7

About N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 164744580) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID164744580
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC NameN-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)=Cc2ccncc21
InChIInChI=1S/C54H40N2/c1-54(2)52(35-48-31-32-55-36-53(48)54)43-23-29-51(30-24-43)56(50-27-21-42(22-28-50)47-18-16-38-8-4-6-10-45(38)34-47)49-25-19-40(20-26-49)39-11-13-41(14-12-39)46-17-15-37-7-3-5-9-44(37)33-46/h3-36H,1-2H3
InChIKeyUFGOEEKJIDTKJH-UHFFFAOYSA-N
XLogP14.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
4-[4-(5,5-dimethylcyclopenta[b]pyridin-6-yl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744832
N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
CID 164744849
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
3,3-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)cyclopenta[b]naphthalen-2-amine
CID 164744460
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
CID 121419359
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
1,1-dimethyl-N,N-bis[4-(4-naphthalen-2-ylphenyl)phenyl]inden-5-amine
CID 164744618
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (CID 164744580) is N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-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)=Cc2ccncc21.
What is the InChIKey of N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is UFGOEEKJIDTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-54(2)52(35-48-31-32-55-36-53(48)54)43-23-29-51(30-24-43)56(50-27-21-42(22-28-50)47-18-16-38-8-4-6-10-45(38)34-47)49-25-19-40(20-26-49)39-11-13-41(14-12-39)46-17-15-37-7-3-5-9-44(37)33-46/h3-36H,1-2H3.
What are the key properties of N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 716.93 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 164744580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).