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

C58H37N — CID 169277560

IUPACN-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc-2c13
InChIInChI=1S/C58H37N/c1-3-12-48-39(9-1)11-7-16-50(48)41-23-30-46(31-24-41)59(45-28-21-38(22-29-45)43-27-34-52-44(37-43)20-19-40-10-2-4-13-49(40)52)47-32-25-42(26-33-47)51-35-36-57-54-15-6-5-14-53(54)56-18-8-17-55(51)58(56)57/h1-37H
InChIKeyFLQPAVGYQLCYSV-UHFFFAOYSA-N
MW747.94 g/mol
LogP16.42
Rot. Bonds6

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

N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline (PubChem CID 169277560) has the molecular formula C58H37N and a molecular weight of 747.94 g/mol. Its IUPAC name is N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline.

Molecular Properties

Compound NameN-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
PubChem CID169277560
Molecular FormulaC58H37N
Molecular Weight747.94 g/mol
Exact Mass747.29
IUPAC NameN-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc-2c13
InChIInChI=1S/C58H37N/c1-3-12-48-39(9-1)11-7-16-50(48)41-23-30-46(31-24-41)59(45-28-21-38(22-29-45)43-27-34-52-44(37-43)20-19-40-10-2-4-13-49(40)52)47-32-25-42(26-33-47)51-35-36-57-54-15-6-5-14-53(54)56-18-8-17-55(51)58(56)57/h1-37H
InChIKeyFLQPAVGYQLCYSV-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

N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
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-(3-fluoranthen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-ylaniline
CID 166875568
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-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 118632252
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline?
The IUPAC name of N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline (CID 169277560) is N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline.
What is the SMILES notation for N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline?
The canonical SMILES for N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline is c1ccc2c(c1)-c1cccc3c(-c4ccc(N(c5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)ccc-2c13.
What is the InChIKey of N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline?
The InChIKey is FLQPAVGYQLCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N/c1-3-12-48-39(9-1)11-7-16-50(48)41-23-30-46(31-24-41)59(45-28-21-38(22-29-45)43-27-34-52-44(37-43)20-19-40-10-2-4-13-49(40)52)47-32-25-42(26-33-47)51-35-36-57-54-15-6-5-14-53(54)56-18-8-17-55(51)58(56)57/h1-37H.
What are the key properties of N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline?
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-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-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline is sourced from PubChem (CID 169277560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).