3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline

C60H41N — CID 177274764

IUPAC3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-15-42(16-4-1)44-33-37-50(38-34-44)61(51-39-35-45(36-40-51)43-17-5-2-6-18-43)59-28-14-27-55(48-31-29-47(30-32-48)53-26-13-21-46-19-7-9-22-52(46)53)60(59)58-41-49-20-8-10-23-54(49)56-24-11-12-25-57(56)58/h1-41H
InChIKeySVISJJXECVFNHH-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline

3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 177274764) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
PubChem CID177274764
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC Name3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C60H41N/c1-3-15-42(16-4-1)44-33-37-50(38-34-44)61(51-39-35-45(36-40-51)43-17-5-2-6-18-43)59-28-14-27-55(48-31-29-47(30-32-48)53-26-13-21-46-19-7-9-22-52(46)53)60(59)58-41-49-20-8-10-23-54(49)56-24-11-12-25-57(56)58/h1-41H
InChIKeySVISJJXECVFNHH-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
2-phenanthren-9-yl-N-phenyl-3-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 177274758
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788936
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-2-amine
CID 168789388
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline (CID 177274764) is 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is SVISJJXECVFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-15-42(16-4-1)44-33-37-50(38-34-44)61(51-39-35-45(36-40-51)43-17-5-2-6-18-43)59-28-14-27-55(48-31-29-47(30-32-48)53-26-13-21-46-19-7-9-22-52(46)53)60(59)58-41-49-20-8-10-23-54(49)56-24-11-12-25-57(56)58/h1-41H.
What are the key properties of 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline?
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 177274764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).