N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine

C60H37N5 — CID 170404506

IUPACN,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C60H37N5/c1-2-8-41-33-42(14-13-38(41)7-1)43-21-27-51-44(34-43)15-16-45-35-50(26-28-52(45)51)65(48-22-17-39(18-23-48)55-29-31-57-59(63-55)53-11-5-3-9-46(53)36-61-57)49-24-19-40(20-25-49)56-30-32-58-60(64-56)54-12-6-4-10-47(54)37-62-58/h1-37H
InChIKeyGBMYTGIWXXQJEI-UHFFFAOYSA-N
MW827.99 g/mol
LogP15.81
Rot. Bonds6

About N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine

N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine (PubChem CID 170404506) has the molecular formula C60H37N5 and a molecular weight of 827.99 g/mol. Its IUPAC name is N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
PubChem CID170404506
Molecular FormulaC60H37N5
Molecular Weight827.99 g/mol
Exact Mass827.30
IUPAC NameN,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C60H37N5/c1-2-8-41-33-42(14-13-38(41)7-1)43-21-27-51-44(34-43)15-16-45-35-50(26-28-52(45)51)65(48-22-17-39(18-23-48)55-29-31-57-59(63-55)53-11-5-3-9-46(53)36-61-57)49-24-19-40(20-25-49)56-30-32-58-60(64-56)54-12-6-4-10-47(54)37-62-58/h1-37H
InChIKeyGBMYTGIWXXQJEI-UHFFFAOYSA-N
XLogP15.81
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-benzo[f][1,8]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404500
N,N-bis(4-benzo[f][1,7]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404499
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
CID 170404726
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
CID 170404405
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-7-isoquinolin-3-yl-N-(4-quinoxalin-2-ylphenyl)phenanthren-2-amine
CID 170404781
N-(4-benzo[f]quinolin-6-ylphenyl)-N-(4-benzo[f]quinolin-7-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404939
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
CID 171463410
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The IUPAC name of N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine (CID 170404506) is N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine.
What is the SMILES notation for N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The canonical SMILES for N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine is c1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)c6ccc(-c7ccc8ncc9ccccc9c8n7)cc6)ccc54)c3)ccc2c1.
What is the InChIKey of N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The InChIKey is GBMYTGIWXXQJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N5/c1-2-8-41-33-42(14-13-38(41)7-1)43-21-27-51-44(34-43)15-16-45-35-50(26-28-52(45)51)65(48-22-17-39(18-23-48)55-29-31-57-59(63-55)53-11-5-3-9-46(53)36-61-57)49-24-19-40(20-25-49)56-30-32-58-60(64-56)54-12-6-4-10-47(54)37-62-58/h1-37H.
What are the key properties of N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine has a molecular weight of 827.99 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine is sourced from PubChem (CID 170404506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).