9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine

C53H35N — CID 167218092

IUPAC9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine
SMILESC(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21)c1cccc2ccccc12
InChIInChI=1S/C53H35N/c1-3-21-42(22-4-1)53(37-36-40-19-13-18-38-16-7-9-25-45(38)40)49-29-12-11-27-48(49)52-50(53)30-15-31-51(52)54(43-23-5-2-6-24-43)44-34-32-41(33-35-44)47-28-14-20-39-17-8-10-26-46(39)47/h1-35H
InChIKeyHSTZTAKDPGFHAR-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.50
Rot. Bonds5

About 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine

9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine (PubChem CID 167218092) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine.

Molecular Properties

Compound Name9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine
PubChem CID167218092
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC Name9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine
SMILESC(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21)c1cccc2ccccc12
InChIInChI=1S/C53H35N/c1-3-21-42(22-4-1)53(37-36-40-19-13-18-38-16-7-9-25-45(38)40)49-29-12-11-27-48(49)52-50(53)30-15-31-51(52)54(43-23-5-2-6-24-43)44-34-32-41(33-35-44)47-28-14-20-39-17-8-10-26-46(39)47/h1-35H
InChIKeyHSTZTAKDPGFHAR-UHFFFAOYSA-N
XLogP13.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 167218091
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
CID 171727614

Frequently Asked Questions

What is the IUPAC name of 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine?
The IUPAC name of 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine (CID 167218092) is 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine.
What is the SMILES notation for 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine?
The canonical SMILES for 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine is C(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21)c1cccc2ccccc12.
What is the InChIKey of 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine?
The InChIKey is HSTZTAKDPGFHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-21-42(22-4-1)53(37-36-40-19-13-18-38-16-7-9-25-45(38)40)49-29-12-11-27-48(49)52-50(53)30-15-31-51(52)54(43-23-5-2-6-24-43)44-34-32-41(33-35-44)47-28-14-20-39-17-8-10-26-46(39)47/h1-35H.
What are the key properties of 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine?
9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine has a molecular weight of 685.87 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine is sourced from PubChem (CID 167218092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).