N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline

C58H37N — CID 166875568

IUPACN-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c1
InChIInChI=1S/C58H37N/c1-3-19-50-38(11-1)13-9-23-52(50)40-27-30-47(31-28-40)59(48-17-7-14-41(35-48)43-29-32-53-44(33-43)26-25-39-12-2-4-20-51(39)53)49-18-8-15-42(36-49)46-34-45-16-10-24-56-54-21-5-6-22-55(54)57(37-46)58(45)56/h1-37H
InChIKeyXTFPRVHKJCOYQK-UHFFFAOYSA-N
MW747.94 g/mol
LogP16.42
Rot. Bonds6

About N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline

N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline (PubChem CID 166875568) has the molecular formula C58H37N and a molecular weight of 747.94 g/mol. Its IUPAC name is N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline.

Molecular Properties

Compound NameN-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline
PubChem CID166875568
Molecular FormulaC58H37N
Molecular Weight747.94 g/mol
Exact Mass747.29
IUPAC NameN-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline
SMILESc1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c1
InChIInChI=1S/C58H37N/c1-3-19-50-38(11-1)13-9-23-52(50)40-27-30-47(31-28-40)59(48-17-7-14-41(35-48)43-29-32-53-44(33-43)26-25-39-12-2-4-20-51(39)53)49-18-8-15-42(36-49)46-34-45-16-10-24-56-54-21-5-6-22-55(54)57(37-46)58(45)56/h1-37H
InChIKeyXTFPRVHKJCOYQK-UHFFFAOYSA-N
XLogP16.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 516.42
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-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
3-N-(3-fluoranthen-2-ylphenyl)-3-N-(3-phenanthren-3-ylphenyl)benzene-1,3-diamine
CID 166875512
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline
CID 170926863
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788936

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline?
The IUPAC name of N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline (CID 166875568) is N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline.
What is the SMILES notation for N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline?
The canonical SMILES for N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline is c1cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5ccccc54)c3)c2)c1.
What is the InChIKey of N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline?
The InChIKey is XTFPRVHKJCOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N/c1-3-19-50-38(11-1)13-9-23-52(50)40-27-30-47(31-28-40)59(48-17-7-14-41(35-48)43-29-32-53-44(33-43)26-25-39-12-2-4-20-51(39)53)49-18-8-15-42(36-49)46-34-45-16-10-24-56-54-21-5-6-22-55(54)57(37-46)58(45)56/h1-37H.
What are the key properties of N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline?
N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline has a molecular weight of 747.94 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline is sourced from PubChem (CID 166875568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).