9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine

C159H97N11 — CID 161079890

IUPAC9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
SMILES[C-]#[N+]c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c(-c4cc(-c5cccnc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc23)cc1
InChIInChI=1S/C58H36N4.C57H35N5.C44H26N2/c1-3-14-37(15-4-1)45-34-46(48-23-13-24-50-49(48)30-31-52-54(50)51-22-11-12-25-53(51)59-55(52)40-18-5-2-6-19-40)36-47(35-45)58-61-56(43-28-26-38-16-7-9-20-41(38)32-43)60-57(62-58)44-29-27-39-17-8-10-21-42(39)33-44;1-2-14-38(15-3-1)54-51-28-27-48-47(20-10-21-49(48)53(51)50-19-8-9-22-52(50)59-54)45-32-44(43-18-11-29-58-35-43)33-46(34-45)57-61-55(41-25-23-36-12-4-6-16-39(36)30-41)60-56(62-57)42-26-24-37-13-5-7-17-40(37)31-42;1-45-30-24-22-28(23-25-30)41-34-14-5-7-16-36(34)42(37-17-8-6-15-35(37)41)32-19-11-20-33-31(32)26-27-39-43(33)38-18-9-10-21-40(38)46-44(39)29-12-3-2-4-13-29/h1-36H;1-35H;2-27H
InChIKeyUFTSPYWAYPCIAY-UHFFFAOYSA-N
MW2161.60 g/mol
LogP41.86
Rot. Bonds15

About 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine

9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine (PubChem CID 161079890) has the molecular formula C159H97N11 and a molecular weight of 2161.60 g/mol. Its IUPAC name is 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine.

Molecular Properties

Compound Name9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
PubChem CID161079890
Molecular FormulaC159H97N11
Molecular Weight2161.60 g/mol
Exact Mass2159.79
IUPAC Name9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
SMILES[C-]#[N+]c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c(-c4cc(-c5cccnc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc23)cc1
InChIInChI=1S/C58H36N4.C57H35N5.C44H26N2/c1-3-14-37(15-4-1)45-34-46(48-23-13-24-50-49(48)30-31-52-54(50)51-22-11-12-25-53(51)59-55(52)40-18-5-2-6-19-40)36-47(35-45)58-61-56(43-28-26-38-16-7-9-20-41(38)32-43)60-57(62-58)44-29-27-39-17-8-10-21-42(39)33-44;1-2-14-38(15-3-1)54-51-28-27-48-47(20-10-21-49(48)53(51)50-19-8-9-22-52(50)59-54)45-32-44(43-18-11-29-58-35-43)33-46(34-45)57-61-55(41-25-23-36-12-4-6-16-39(36)30-41)60-56(62-57)42-26-24-37-13-5-7-17-40(37)31-42;1-45-30-24-22-28(23-25-30)41-34-14-5-7-16-36(34)42(37-17-8-6-15-35(37)41)32-19-11-20-33-31(32)26-27-39-43(33)38-18-9-10-21-40(38)46-44(39)29-12-3-2-4-13-29/h1-36H;1-35H;2-27H
InChIKeyUFTSPYWAYPCIAY-UHFFFAOYSA-N
XLogP41.86
TPSA133.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.60
LogP ≤ 541.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine with MolForge

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Related Compounds

8-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 123166105
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 118332288
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
CID 118332103
6-[3-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665527
5-[3-bromo-5-[4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155195932
6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
2,4-dinaphthalen-2-yl-6-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-5-phenylphenyl]-1,3,5-triazine
CID 137393173

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine?
The IUPAC name of 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine (CID 161079890) is 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine.
What is the SMILES notation for 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine?
The canonical SMILES for 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine is [C-]#[N+]c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3cccc4c3ccc3c(-c5ccccc5)nc5ccccc5c34)c2)cc1.c1ccc(-c2nc3ccccc3c3c2ccc2c(-c4cc(-c5cccnc5)cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc23)cc1.
What is the InChIKey of 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine?
The InChIKey is UFTSPYWAYPCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4.C57H35N5.C44H26N2/c1-3-14-37(15-4-1)45-34-46(48-23-13-24-50-49(48)30-31-52-54(50)51-22-11-12-25-53(51)59-55(52)40-18-5-2-6-19-40)36-47(35-45)58-61-56(43-28-26-38-16-7-9-20-41(38)32-43)60-57(62-58)44-29-27-39-17-8-10-21-42(39)33-44;1-2-14-38(15-3-1)54-51-28-27-48-47(20-10-21-49(48)53(51)50-19-8-9-22-52(50)59-54)45-32-44(43-18-11-29-58-35-43)33-46(34-45)57-61-55(41-25-23-36-12-4-6-16-39(36)30-41)60-56(62-57)42-26-24-37-13-5-7-17-40(37)31-42;1-45-30-24-22-28(23-25-30)41-34-14-5-7-16-36(34)42(37-17-8-6-15-35(37)41)32-19-11-20-33-31(32)26-27-39-43(33)38-18-9-10-21-40(38)46-44(39)29-12-3-2-4-13-29/h1-36H;1-35H;2-27H.
What are the key properties of 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine?
9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine has a molecular weight of 2161.60 g/mol, XLogP of 41.86, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]-6-phenylbenzo[k]phenanthridine;9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-6-phenylbenzo[k]phenanthridine;9-[10-(4-isocyanophenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 161079890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).