6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine

C179H113N9 — CID 161486127

IUPAC6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5nc(-c5ccc(-c7cccc8ccccc78)cc5)c5ccc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c2)c2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c2)c2ccc4ccccc4c23)cc1
InChIInChI=1S/C61H39N3.2C59H37N3/c1-3-14-40(15-4-1)48-21-11-22-49(38-48)61-62-56(45-18-5-2-6-19-45)39-57(63-61)46-32-28-44(29-33-46)53-26-13-27-54-58-52-24-10-8-17-42(52)36-37-55(58)59(64-60(53)54)47-34-30-43(31-35-47)51-25-12-20-41-16-7-9-23-50(41)51;1-2-14-41(15-3-1)49-26-13-29-52-56-48-25-9-6-18-42(48)34-35-53(56)57(62-58(49)52)45-22-10-21-44(36-45)38-30-32-43(33-31-38)54-37-55(50-27-11-19-39-16-4-7-23-46(39)50)61-59(60-54)51-28-12-20-40-17-5-8-24-47(40)51;1-2-14-41(15-3-1)51-22-11-23-52-56-50-21-9-8-16-42(50)32-33-53(56)57(62-58(51)52)48-20-10-19-46(35-48)40-24-28-43(29-25-40)54-37-55(47-30-26-38-12-4-6-17-44(38)34-47)61-59(60-54)49-31-27-39-13-5-7-18-45(39)36-49/h1-39H;2*1-37H
InChIKeyWEZPTBFZKWVJAN-UHFFFAOYSA-N
MW2389.94 g/mol
LogP47.43
Rot. Bonds19

About 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine

6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine (PubChem CID 161486127) has the molecular formula C179H113N9 and a molecular weight of 2389.94 g/mol. Its IUPAC name is 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
PubChem CID161486127
Molecular FormulaC179H113N9
Molecular Weight2389.94 g/mol
Exact Mass2387.91
IUPAC Name6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5nc(-c5ccc(-c7cccc8ccccc78)cc5)c5ccc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c2)c2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c2)c2ccc4ccccc4c23)cc1
InChIInChI=1S/C61H39N3.2C59H37N3/c1-3-14-40(15-4-1)48-21-11-22-49(38-48)61-62-56(45-18-5-2-6-19-45)39-57(63-61)46-32-28-44(29-33-46)53-26-13-27-54-58-52-24-10-8-17-42(52)36-37-55(58)59(64-60(53)54)47-34-30-43(31-35-47)51-25-12-20-41-16-7-9-23-50(41)51;1-2-14-41(15-3-1)49-26-13-29-52-56-48-25-9-6-18-42(48)34-35-53(56)57(62-58(49)52)45-22-10-21-44(36-45)38-30-32-43(33-31-38)54-37-55(50-27-11-19-39-16-4-7-23-46(39)50)61-59(60-54)51-28-12-20-40-17-5-8-24-47(40)51;1-2-14-41(15-3-1)51-22-11-23-52-56-50-21-9-8-16-42(50)32-33-53(56)57(62-58(51)52)48-20-10-19-46(35-48)40-24-28-43(29-25-40)54-37-55(47-30-26-38-12-4-6-17-44(38)34-47)61-59(60-54)49-31-27-39-13-5-7-18-45(39)36-49/h1-39H;2*1-37H
InChIKeyWEZPTBFZKWVJAN-UHFFFAOYSA-N
XLogP47.43
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002389.94
LogP ≤ 547.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine with MolForge

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Related Compounds

2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzo[k]phenanthridine;6-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-phenylbenzo[k]phenanthridine
CID 159237544
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
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
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
6-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;6-[4-[3-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 161411337
4-(4-carbazol-9-ylphenyl)-6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249601
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 149449540

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine (CID 161486127) is 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5nc(-c5ccc(-c7cccc8ccccc78)cc5)c5ccc7ccccc7c56)cc4)n3)c2)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc4)c2)c2ccc4ccccc4c23)cc1.c1ccc(-c2cccc3c2nc(-c2cccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c2)c2ccc4ccccc4c23)cc1.
What is the InChIKey of 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine?
The InChIKey is WEZPTBFZKWVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3.2C59H37N3/c1-3-14-40(15-4-1)48-21-11-22-49(38-48)61-62-56(45-18-5-2-6-19-45)39-57(63-61)46-32-28-44(29-33-46)53-26-13-27-54-58-52-24-10-8-17-42(52)36-37-55(58)59(64-60(53)54)47-34-30-43(31-35-47)51-25-12-20-41-16-7-9-23-50(41)51;1-2-14-41(15-3-1)49-26-13-29-52-56-48-25-9-6-18-42(48)34-35-53(56)57(62-58(49)52)45-22-10-21-44(36-45)38-30-32-43(33-31-38)54-37-55(50-27-11-19-39-16-4-7-23-46(39)50)61-59(60-54)51-28-12-20-40-17-5-8-24-47(40)51;1-2-14-41(15-3-1)51-22-11-23-52-56-50-21-9-8-16-42(50)32-33-53(56)57(62-58(51)52)48-20-10-19-46(35-48)40-24-28-43(29-25-40)54-37-55(47-30-26-38-12-4-6-17-44(38)34-47)61-59(60-54)49-31-27-39-13-5-7-18-45(39)36-49/h1-39H;2*1-37H.
What are the key properties of 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine?
6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine has a molecular weight of 2389.94 g/mol, XLogP of 47.43, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 161486127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).