10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine

C53H35N3 — CID 146548788

IUPAC10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c23)cc1
InChIInChI=1S/C53H35N3/c1-5-14-36(15-6-1)44-32-33-46-50(34-44)54-52(42-18-9-3-10-19-42)47-23-13-22-45(51(46)47)39-28-24-37(25-29-39)38-26-30-41(31-27-38)49-35-48(40-16-7-2-8-17-40)55-53(56-49)43-20-11-4-12-21-43/h1-35H
InChIKeyQRUZWBCZAVDOGX-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.85
Rot. Bonds7

About 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine

10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine (PubChem CID 146548788) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine.

Molecular Properties

Compound Name10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
PubChem CID146548788
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c23)cc1
InChIInChI=1S/C53H35N3/c1-5-14-36(15-6-1)44-32-33-46-50(34-44)54-52(42-18-9-3-10-19-42)47-23-13-22-45(51(46)47)39-28-24-37(25-29-39)38-26-30-41(31-27-38)49-35-48(40-16-7-2-8-17-40)55-53(56-49)43-20-11-4-12-21-43/h1-35H
InChIKeyQRUZWBCZAVDOGX-UHFFFAOYSA-N
XLogP13.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.85
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

3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
3-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;3-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 158712117
3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
CID 157389008
[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
CID 163523054
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
3-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548563

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine?
The IUPAC name of 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine (CID 146548788) is 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine.
What is the SMILES notation for 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine?
The canonical SMILES for 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine is c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2cccc(-c4ccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4)c23)cc1.
What is the InChIKey of 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine?
The InChIKey is QRUZWBCZAVDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-14-36(15-6-1)44-32-33-46-50(34-44)54-52(42-18-9-3-10-19-42)47-23-13-22-45(51(46)47)39-28-24-37(25-29-39)38-26-30-41(31-27-38)49-35-48(40-16-7-2-8-17-40)55-53(56-49)43-20-11-4-12-21-43/h1-35H.
What are the key properties of 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine?
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine is sourced from PubChem (CID 146548788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).