N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

C54H37N — CID 167266019

IUPACN-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)47-25-13-14-29-53(47)55(45-23-15-22-42(36-45)52-37-43-21-8-9-24-46(43)50-27-11-12-28-51(50)52)44-33-30-40(31-34-44)49-35-32-39-18-7-10-26-48(39)54(49)41-19-5-2-6-20-41/h1-37H
InChIKeyRDXFUJVBKZDIHE-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 167266019) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
PubChem CID167266019
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C54H37N/c1-3-16-38(17-4-1)47-25-13-14-29-53(47)55(45-23-15-22-42(36-45)52-37-43-21-8-9-24-46(43)50-27-11-12-28-51(50)52)44-33-30-40(31-34-44)49-35-32-39-18-7-10-26-48(39)54(49)41-19-5-2-6-20-41/h1-37H
InChIKeyRDXFUJVBKZDIHE-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
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

N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)triphenylen-1-amine
CID 167265700
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707

Frequently Asked Questions

What is the IUPAC name of N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The IUPAC name of N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (CID 167266019) is N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The canonical SMILES for N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccccc4c3-c3ccccc3)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The InChIKey is RDXFUJVBKZDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-16-38(17-4-1)47-25-13-14-29-53(47)55(45-23-15-22-42(36-45)52-37-43-21-8-9-24-46(43)50-27-11-12-28-51(50)52)44-33-30-40(31-34-44)49-35-32-39-18-7-10-26-48(39)54(49)41-19-5-2-6-20-41/h1-37H.
What are the key properties of N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 167266019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).