10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine

C57H37N3 — CID 146548513

IUPAC10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8c(-c9ccccc9)cccc78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N3/c1-4-13-38(14-5-1)39-23-27-42(28-24-39)53-37-54(60-57(59-53)44-17-8-3-9-18-44)48-34-33-46-35-45(31-32-47(46)36-48)40-25-29-43(30-26-40)56-51-21-12-20-49(41-15-6-2-7-16-41)55(51)50-19-10-11-22-52(50)58-56/h1-37H
InChIKeyKBBGZNPEHBVJSE-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.00
Rot. Bonds7

About 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine

10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine (PubChem CID 146548513) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine.

Molecular Properties

Compound Name10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
PubChem CID146548513
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8c(-c9ccccc9)cccc78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H37N3/c1-4-13-38(14-5-1)39-23-27-42(28-24-39)53-37-54(60-57(59-53)44-17-8-3-9-18-44)48-34-33-46-35-45(31-32-47(46)36-48)40-25-29-43(30-26-40)56-51-21-12-20-49(41-15-6-2-7-16-41)55(51)50-19-10-11-22-52(50)58-56/h1-37H
InChIKeyKBBGZNPEHBVJSE-UHFFFAOYSA-N
XLogP15.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.00
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

10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
CID 161033409
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-6-(2-phenylphenyl)phenanthridine
CID 146548752
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine?
The IUPAC name of 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine (CID 146548513) is 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine.
What is the SMILES notation for 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine?
The canonical SMILES for 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine is c1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8c(-c9ccccc9)cccc78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine?
The InChIKey is KBBGZNPEHBVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-4-13-38(14-5-1)39-23-27-42(28-24-39)53-37-54(60-57(59-53)44-17-8-3-9-18-44)48-34-33-46-35-45(31-32-47(46)36-48)40-25-29-43(30-26-40)56-51-21-12-20-49(41-15-6-2-7-16-41)55(51)50-19-10-11-22-52(50)58-56/h1-37H.
What are the key properties of 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine?
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine has a molecular weight of 763.94 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine is sourced from PubChem (CID 146548513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).