6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine

C77H58BN5O2 — CID 159889513

IUPAC6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
SMILESCC1(C)OB(c2cccc3c2nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C46H30N4.C31H28BNO2/c1-3-13-32(14-4-1)36-17-11-19-38-44(36)39-20-12-18-37(46(39)50-45(38)34-15-5-2-6-16-34)33-25-23-31(24-26-33)35-29-42(40-21-7-9-27-47-40)49-43(30-35)41-22-8-10-28-48-41;1-30(2)31(3,4)35-32(34-30)26-20-12-19-25-27-23(21-13-7-5-8-14-21)17-11-18-24(27)28(33-29(25)26)22-15-9-6-10-16-22/h1-30H;5-20H,1-4H3
InChIKeyNUOIWORWMJLSQL-UHFFFAOYSA-N
MW1096.16 g/mol
LogP18.60
Rot. Bonds9

About 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine

6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine (PubChem CID 159889513) has the molecular formula C77H58BN5O2 and a molecular weight of 1096.16 g/mol. Its IUPAC name is 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
PubChem CID159889513
Molecular FormulaC77H58BN5O2
Molecular Weight1096.16 g/mol
Exact Mass1095.47
IUPAC Name6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
SMILESCC1(C)OB(c2cccc3c2nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C46H30N4.C31H28BNO2/c1-3-13-32(14-4-1)36-17-11-19-38-44(36)39-20-12-18-37(46(39)50-45(38)34-15-5-2-6-16-34)33-25-23-31(24-26-33)35-29-42(40-21-7-9-27-47-40)49-43(30-35)41-22-8-10-28-48-41;1-30(2)31(3,4)35-32(34-30)26-20-12-19-25-27-23(21-13-7-5-8-14-21)17-11-18-24(27)28(33-29(25)26)22-15-9-6-10-16-22/h1-30H;5-20H,1-4H3
InChIKeyNUOIWORWMJLSQL-UHFFFAOYSA-N
XLogP18.60
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.16
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine with MolForge

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Related Compounds

2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 146802959
4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249271
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
CID 158506980
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-pyridin-3-ylphenanthridine
CID 146549128
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 159968449
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107

Frequently Asked Questions

What is the IUPAC name of 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine (CID 159889513) is 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine is CC1(C)OB(c2cccc3c2nc(-c2ccccc2)c2cccc(-c4ccccc4)c23)OC1(C)C.c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine?
The InChIKey is NUOIWORWMJLSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C31H28BNO2/c1-3-13-32(14-4-1)36-17-11-19-38-44(36)39-20-12-18-37(46(39)50-45(38)34-15-5-2-6-16-34)33-25-23-31(24-26-33)35-29-42(40-21-7-9-27-47-40)49-43(30-35)41-22-8-10-28-48-41;1-30(2)31(3,4)35-32(34-30)26-20-12-19-25-27-23(21-13-7-5-8-14-21)17-11-18-24(27)28(33-29(25)26)22-15-9-6-10-16-22/h1-30H;5-20H,1-4H3.
What are the key properties of 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine?
6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine has a molecular weight of 1096.16 g/mol, XLogP of 18.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 159889513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).