N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline

C56H37N3 — CID 171055301

IUPACN,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc6ccccc6c5c5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C56H37N3/c1-4-16-38(17-5-1)39-28-30-40(31-29-39)49-37-54(57-52-26-14-12-23-46(49)52)50-36-51-55(47-24-11-10-22-45(47)50)48-25-13-15-27-53(48)58-56(51)41-32-34-44(35-33-41)59(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-37H
InChIKeyDNCVRRSQUFIYLU-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.23
Rot. Bonds7

About N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline

N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline (PubChem CID 171055301) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
PubChem CID171055301
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC NameN,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc6ccccc6c5c5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C56H37N3/c1-4-16-38(17-5-1)39-28-30-40(31-29-39)49-37-54(57-52-26-14-12-23-46(49)52)50-36-51-55(47-24-11-10-22-45(47)50)48-25-13-15-27-53(48)58-56(51)41-32-34-44(35-33-41)59(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-37H
InChIKeyDNCVRRSQUFIYLU-UHFFFAOYSA-N
XLogP15.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[8-(2,6-diphenylpyrimidin-4-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055002
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332224
4-[9-(4,6-diphenylpyrimidin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055149
12-phenyl-9-[4-(6-phenylbenzo[k]phenanthridin-8-yl)phenyl]-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 129176197
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055157
N,N-diphenyl-4-(4-phenylquinolin-2-yl)benzene-5-id-1-amine
CID 101387423
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605623
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605693
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline (CID 171055301) is N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline is c1ccc(-c2ccc(-c3cc(-c4cc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc6ccccc6c5c5ccccc45)nc4ccccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline?
The InChIKey is DNCVRRSQUFIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-4-16-38(17-5-1)39-28-30-40(31-29-39)49-37-54(57-52-26-14-12-23-46(49)52)50-36-51-55(47-24-11-10-22-45(47)50)48-25-13-15-27-53(48)58-56(51)41-32-34-44(35-33-41)59(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-37H.
What are the key properties of N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline?
N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline has a molecular weight of 751.93 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-[4-(4-phenylphenyl)quinolin-2-yl]benzo[k]phenanthridin-6-yl]aniline is sourced from PubChem (CID 171055301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).