6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine

C47H31N3 — CID 146549040

IUPAC6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-5-17-32(18-6-1)44-40-29-16-28-38(43(40)39-27-13-14-30-41(39)48-44)36-25-15-26-37(31-36)42-45(33-19-7-2-8-20-33)49-47(35-23-11-4-12-24-35)50-46(42)34-21-9-3-10-22-34/h1-31H
InChIKeyRFNNRYIVEITPGF-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine

6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine (PubChem CID 146549040) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine.

Molecular Properties

Compound Name6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine
PubChem CID146549040
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-5-17-32(18-6-1)44-40-29-16-28-38(43(40)39-27-13-14-30-41(39)48-44)36-25-15-26-37(31-36)42-45(33-19-7-2-8-20-33)49-47(35-23-11-4-12-24-35)50-46(42)34-21-9-3-10-22-34/h1-31H
InChIKeyRFNNRYIVEITPGF-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
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
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
14-[3-[2-phenyl-4,6-bis(4-phenylphenyl)pyrimidin-5-yl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123862
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine?
The IUPAC name of 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine (CID 146549040) is 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine.
What is the SMILES notation for 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine?
The canonical SMILES for 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine is c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine?
The InChIKey is RFNNRYIVEITPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-17-32(18-6-1)44-40-29-16-28-38(43(40)39-27-13-14-30-41(39)48-44)36-25-15-26-37(31-36)42-45(33-19-7-2-8-20-33)49-47(35-23-11-4-12-24-35)50-46(42)34-21-9-3-10-22-34/h1-31H.
What are the key properties of 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine?
6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine is sourced from PubChem (CID 146549040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).