7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine

C52H33N5 — CID 170404405

IUPAC7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8cnncc8c7)cc6)c6ccc(-c7ccc8cnncc8c7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C52H33N5/c1-2-4-37-25-40(6-5-34(37)3-1)41-17-23-51-42(26-41)9-10-43-29-50(22-24-52(43)51)57(48-18-13-35(14-19-48)38-7-11-44-30-53-55-32-46(44)27-38)49-20-15-36(16-21-49)39-8-12-45-31-54-56-33-47(45)28-39/h1-33H
InChIKeyOAFJJIAXXJLYFV-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.50
Rot. Bonds6

About 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine

7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine (PubChem CID 170404405) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
PubChem CID170404405
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8cnncc8c7)cc6)c6ccc(-c7ccc8cnncc8c7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C52H33N5/c1-2-4-37-25-40(6-5-34(37)3-1)41-17-23-51-42(26-41)9-10-43-29-50(22-24-52(43)51)57(48-18-13-35(14-19-48)38-7-11-44-30-53-55-32-46(44)27-38)49-20-15-36(16-21-49)39-8-12-45-31-54-56-33-47(45)28-39/h1-33H
InChIKeyOAFJJIAXXJLYFV-UHFFFAOYSA-N
XLogP13.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
CID 170404726
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine?
The IUPAC name of 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine (CID 170404405) is 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine is c1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8cnncc8c7)cc6)c6ccc(-c7ccc8cnncc8c7)cc6)ccc54)c3)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine?
The InChIKey is OAFJJIAXXJLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-2-4-37-25-40(6-5-34(37)3-1)41-17-23-51-42(26-41)9-10-43-29-50(22-24-52(43)51)57(48-18-13-35(14-19-48)38-7-11-44-30-53-55-32-46(44)27-38)49-20-15-36(16-21-49)39-8-12-45-31-54-56-33-47(45)28-39/h1-33H.
What are the key properties of 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine?
7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine has a molecular weight of 727.87 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 170404405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).