N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline

C58H39N — CID 138742492

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
SMILESc1ccc(-c2ccc3c(ccc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)c2)cc1
InChIInChI=1S/C58H39N/c1-2-10-40(11-3-1)46-28-36-57-48(38-46)20-21-49-39-47(29-37-58(49)57)41-22-30-50(31-23-41)59(51-32-24-44(25-33-51)55-18-8-14-42-12-4-6-16-53(42)55)52-34-26-45(27-35-52)56-19-9-15-43-13-5-7-17-54(43)56/h1-39H
InChIKeyHTFIYXJLJNNYMM-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline

N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline (PubChem CID 138742492) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
PubChem CID138742492
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
SMILESc1ccc(-c2ccc3c(ccc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)c2)cc1
InChIInChI=1S/C58H39N/c1-2-10-40(11-3-1)46-28-36-57-48(38-46)20-21-49-39-47(29-37-58(49)57)41-22-30-50(31-23-41)59(51-32-24-44(25-33-51)55-18-8-14-42-12-4-6-16-53(42)55)52-34-26-45(27-35-52)56-19-9-15-43-13-5-7-17-54(43)56/h1-39H
InChIKeyHTFIYXJLJNNYMM-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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

3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
N-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 155304054
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline (CID 138742492) is N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline is c1ccc(-c2ccc3c(ccc4cc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)c2)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline?
The InChIKey is HTFIYXJLJNNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-2-10-40(11-3-1)46-28-36-57-48(38-46)20-21-49-39-47(29-37-58(49)57)41-22-30-50(31-23-41)59(51-32-24-44(25-33-51)55-18-8-14-42-12-4-6-16-53(42)55)52-34-26-45(27-35-52)56-19-9-15-43-13-5-7-17-54(43)56/h1-39H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline?
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline is sourced from PubChem (CID 138742492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).