2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C62H43N — CID 177274928

IUPAC2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5-c5ccccc5)c4-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H43N/c1-4-17-44(18-5-1)46-31-33-47(34-32-46)49-37-41-53(42-38-49)63(52-39-35-48(36-40-52)45-19-6-2-7-20-45)61-30-16-29-59(57-27-13-12-24-54(57)50-21-8-3-9-22-50)62(61)60-43-51-23-10-11-25-55(51)56-26-14-15-28-58(56)60/h1-43H
InChIKeyRQLKSCRBOAGEMB-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 177274928) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID177274928
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5-c5ccccc5)c4-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H43N/c1-4-17-44(18-5-1)46-31-33-47(34-32-46)49-37-41-53(42-38-49)63(52-39-35-48(36-40-52)45-19-6-2-7-20-45)61-30-16-29-59(57-27-13-12-24-54(57)50-21-8-3-9-22-50)62(61)60-43-51-23-10-11-25-55(51)56-26-14-15-28-58(56)60/h1-43H
InChIKeyRQLKSCRBOAGEMB-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
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-N-phenyl-3-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 177274758
N-[2-phenanthren-9-yl-3-(2-phenylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177274846
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
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
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788963
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
3-dibenzothiophen-3-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274580
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 177274928) is 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5ccccc5-c5ccccc5)c4-c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RQLKSCRBOAGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-4-17-44(18-5-1)46-31-33-47(34-32-46)49-37-41-53(42-38-49)63(52-39-35-48(36-40-52)45-19-6-2-7-20-45)61-30-16-29-59(57-27-13-12-24-54(57)50-21-8-3-9-22-50)62(61)60-43-51-23-10-11-25-55(51)56-26-14-15-28-58(56)60/h1-43H.
What are the key properties of 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 177274928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).