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

C89H66BN5O2 — CID 157373394

IUPAC10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
SMILESCC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7-c7ccccc7)nc7ccccc7c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N4.C37H32BNO2/c1-4-15-37(16-5-1)42-21-10-11-22-44(42)49-46-25-14-24-43(48(46)45-23-12-13-26-47(45)53-49)38-31-27-35(28-32-38)36-29-33-41(34-30-36)52-55-50(39-17-6-2-7-18-39)54-51(56-52)40-19-8-3-9-20-40;1-36(2)37(3,4)41-38(40-36)27-23-21-26(22-24-27)29-18-12-19-32-34(29)31-17-10-11-20-33(31)39-35(32)30-16-9-8-15-28(30)25-13-6-5-7-14-25/h1-34H;5-24H,1-4H3
InChIKeyBKAKVNPSIRAGRB-UHFFFAOYSA-N
MW1248.35 g/mol
LogP21.93
Rot. Bonds11

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

10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (PubChem CID 157373394) has the molecular formula C89H66BN5O2 and a molecular weight of 1248.35 g/mol. Its IUPAC name is 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.

Molecular Properties

Compound Name10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
PubChem CID157373394
Molecular FormulaC89H66BN5O2
Molecular Weight1248.35 g/mol
Exact Mass1247.53
IUPAC Name10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine
SMILESCC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7-c7ccccc7)nc7ccccc7c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N4.C37H32BNO2/c1-4-15-37(16-5-1)42-21-10-11-22-44(42)49-46-25-14-24-43(48(46)45-23-12-13-26-47(45)53-49)38-31-27-35(28-32-38)36-29-33-41(34-30-36)52-55-50(39-17-6-2-7-18-39)54-51(56-52)40-19-8-3-9-20-40;1-36(2)37(3,4)41-38(40-36)27-23-21-26(22-24-27)29-18-12-19-32-34(29)31-17-10-11-20-33(31)39-35(32)30-16-9-8-15-28(30)25-13-6-5-7-14-25/h1-34H;5-24H,1-4H3
InChIKeyBKAKVNPSIRAGRB-UHFFFAOYSA-N
XLogP21.93
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001248.35
LogP ≤ 521.93
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 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine with MolForge

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Related Compounds

2,9-Dimethyl-12-naphthalen-1-ylquinolino[2,3-b]quinoline
CID 139215723
9-[3-[4-(3-Acridin-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 101520683
4,4'-[9,10-Anthracenediylbis(4-phenyl-6,2-quinazolinediyl)]dianiline
CID 3106717
5-[3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-fluorobenzo[c]acridine
CID 134169237
6-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]phenanthridine
CID 134271795
6-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]phenanthridine
CID 134271903
3-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134591837
3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595915
3-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595957
3-(4,6-Diphenylpyrimidin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595960
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595982
3-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
CID 134595985

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
The IUPAC name of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine (CID 157373394) is 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine.
What is the SMILES notation for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
The canonical SMILES for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is CC1(C)OB(c2ccc(-c3cccc4c(-c5ccccc5-c5ccccc5)nc5ccccc5c34)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c(-c7ccccc7-c7ccccc7)nc7ccccc7c56)cc4)cc3)n2)cc1.
What is the InChIKey of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
The InChIKey is BKAKVNPSIRAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C37H32BNO2/c1-4-15-37(16-5-1)42-21-10-11-22-44(42)49-46-25-14-24-43(48(46)45-23-12-13-26-47(45)53-49)38-31-27-35(28-32-38)36-29-33-41(34-30-36)52-55-50(39-17-6-2-7-18-39)54-51(56-52)40-19-8-3-9-20-40;1-36(2)37(3,4)41-38(40-36)27-23-21-26(22-24-27)29-18-12-19-32-34(29)31-17-10-11-20-33(31)39-35(32)30-16-9-8-15-28(30)25-13-6-5-7-14-25/h1-34H;5-24H,1-4H3.
What are the key properties of 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine?
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine has a molecular weight of 1248.35 g/mol, XLogP of 21.93, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-(2-phenylphenyl)phenanthridine;6-(2-phenylphenyl)-10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine is sourced from PubChem (CID 157373394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).