6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine

C45H30N4 — CID 171463450

IUPAC6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5cc(-c6cc7ccccc7cn6)ccc5c4)cc3)nc3cccnc23)cc1
InChIInChI=1S/C45H30N4/c1-3-10-31(11-4-1)41-29-44(48-42-16-9-25-46-45(41)42)32-19-22-39(23-20-32)49(38-14-5-2-6-15-38)40-24-21-34-26-36(18-17-35(34)27-40)43-28-33-12-7-8-13-37(33)30-47-43/h1-30H
InChIKeyKGRHVVMURFBWRI-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.80
Rot. Bonds6

About 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine

6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine (PubChem CID 171463450) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine
PubChem CID171463450
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5cc(-c6cc7ccccc7cn6)ccc5c4)cc3)nc3cccnc23)cc1
InChIInChI=1S/C45H30N4/c1-3-10-31(11-4-1)41-29-44(48-42-16-9-25-46-45(41)42)32-19-22-39(23-20-32)49(38-14-5-2-6-15-38)40-24-21-34-26-36(18-17-35(34)27-40)43-28-33-12-7-8-13-37(33)30-47-43/h1-30H
InChIKeyKGRHVVMURFBWRI-UHFFFAOYSA-N
XLogP11.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N-(4-isoquinolin-7-ylphenyl)-4-phenanthren-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463466
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
N-(4-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463278
N,N-bis(3-isoquinolin-3-ylphenyl)pyridin-4-amine
CID 164822371
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
CID 171463410
N-(4-carbazol-9-ylphenyl)-7-isoquinolin-3-yl-N-phenylnaphthalen-2-amine
CID 176588568
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 163969080
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine (CID 171463450) is 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5cc(-c6cc7ccccc7cn6)ccc5c4)cc3)nc3cccnc23)cc1.
What is the InChIKey of 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is KGRHVVMURFBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-10-31(11-4-1)41-29-44(48-42-16-9-25-46-45(41)42)32-19-22-39(23-20-32)49(38-14-5-2-6-15-38)40-24-21-34-26-36(18-17-35(34)27-40)43-28-33-12-7-8-13-37(33)30-47-43/h1-30H.
What are the key properties of 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine?
6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 626.76 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-3-yl-N-phenyl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 171463450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).