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

C92H62N6 — CID 161033409

IUPAC10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
SMILESCc1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)cc3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)cccc23)cc1
InChIInChI=1S/C49H31N3.C43H31N3/c1-2-13-36(14-3-1)48-43-19-10-18-41(47(43)42-17-8-9-20-44(42)50-48)34-23-25-35(26-24-34)45-31-46(39-27-21-32-11-4-6-15-37(32)29-39)52-49(51-45)40-28-22-33-12-5-7-16-38(33)30-40;1-28-15-19-31(20-16-28)39-27-40(46-43(45-39)34-21-17-29(2)18-22-34)32-25-23-30(24-26-32)35-12-8-13-37-41(35)36-11-6-7-14-38(36)44-42(37)33-9-4-3-5-10-33/h1-31H;3-27H,1-2H3
InChIKeyTZXUDQUXMLTUEY-UHFFFAOYSA-N
MW1251.55 g/mol
LogP23.95
Rot. Bonds10

About 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

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 (PubChem CID 161033409) has the molecular formula C92H62N6 and a molecular weight of 1251.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
PubChem CID161033409
Molecular FormulaC92H62N6
Molecular Weight1251.55 g/mol
Exact Mass1250.50
IUPAC Name10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
SMILESCc1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)cc3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)cccc23)cc1
InChIInChI=1S/C49H31N3.C43H31N3/c1-2-13-36(14-3-1)48-43-19-10-18-41(47(43)42-17-8-9-20-44(42)50-48)34-23-25-35(26-24-34)45-31-46(39-27-21-32-11-4-6-15-37(32)29-39)52-49(51-45)40-28-22-33-12-5-7-16-38(33)30-40;1-28-15-19-31(20-16-28)39-27-40(46-43(45-39)34-21-17-29(2)18-22-34)32-25-23-30(24-26-32)35-12-8-13-37-41(35)36-11-6-7-14-38(36)44-42(37)33-9-4-3-5-10-33/h1-31H;3-27H,1-2H3
InChIKeyTZXUDQUXMLTUEY-UHFFFAOYSA-N
XLogP23.95
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.55
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane
CID 159016436
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167678679
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
10-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine;10-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenanthridine
CID 161158065
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146548601
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)cc3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)cccc23)cc1.
What is the InChIKey of 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?
The InChIKey is TZXUDQUXMLTUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C43H31N3/c1-2-13-36(14-3-1)48-43-19-10-18-41(47(43)42-17-8-9-20-44(42)50-48)34-23-25-35(26-24-34)45-31-46(39-27-21-32-11-4-6-15-37(32)29-39)52-49(51-45)40-28-22-33-12-5-7-16-38(33)30-40;1-28-15-19-31(20-16-28)39-27-40(46-43(45-39)34-21-17-29(2)18-22-34)32-25-23-30(24-26-32)35-12-8-13-37-41(35)36-11-6-7-14-38(36)44-42(37)33-9-4-3-5-10-33/h1-31H;3-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1251.55 g/mol, XLogP of 23.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161033409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).