7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline

C130H82N12 — CID 158522019

IUPAC7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4ccc(-c6ccccc6)nc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C44H28N4.C42H26N4/c1-4-12-29(13-5-1)37-27-25-33-24-26-36-41(35-18-10-11-19-38(35)46-43(36)42(33)45-37)32-22-20-31(21-23-32)40-28-39(30-14-6-2-7-15-30)47-44(48-40)34-16-8-3-9-17-34;1-3-10-31(11-4-1)39-28-40(48-44(47-39)35-12-5-2-6-13-35)32-21-17-29(18-22-32)30-19-23-33(24-20-30)41-36-15-7-8-16-38(36)46-43-37(41)26-25-34-14-9-27-45-42(34)43;1-3-12-27(13-4-1)37-26-38(46-42(45-37)29-14-5-2-6-15-29)32-23-24-33(31-18-8-7-17-30(31)32)39-34-19-9-10-20-36(34)44-41-35(39)22-21-28-16-11-25-43-40(28)41/h2*1-28H;1-26H
InChIKeyHMIFYTJSJRETMB-UHFFFAOYSA-N
MW1812.17 g/mol
LogP32.67
Rot. Bonds14

About 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline

7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline (PubChem CID 158522019) has the molecular formula C130H82N12 and a molecular weight of 1812.17 g/mol. Its IUPAC name is 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
PubChem CID158522019
Molecular FormulaC130H82N12
Molecular Weight1812.17 g/mol
Exact Mass1810.68
IUPAC Name7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4ccc(-c6ccccc6)nc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/2C44H28N4.C42H26N4/c1-4-12-29(13-5-1)37-27-25-33-24-26-36-41(35-18-10-11-19-38(35)46-43(36)42(33)45-37)32-22-20-31(21-23-32)40-28-39(30-14-6-2-7-15-30)47-44(48-40)34-16-8-3-9-17-34;1-3-10-31(11-4-1)39-28-40(48-44(47-39)35-12-5-2-6-13-35)32-21-17-29(18-22-32)30-19-23-33(24-20-30)41-36-15-7-8-16-38(36)46-43-37(41)26-25-34-14-9-27-45-42(34)43;1-3-12-27(13-4-1)37-26-38(46-42(45-37)29-14-5-2-6-15-29)32-23-24-33(31-18-8-7-17-30(31)32)39-34-19-9-10-20-36(34)44-41-35(39)22-21-28-16-11-25-43-40(28)41/h2*1-28H;1-26H
InChIKeyHMIFYTJSJRETMB-UHFFFAOYSA-N
XLogP32.67
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.17
LogP ≤ 532.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;2-phenyl-7-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158696446
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline;7-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]benzo[b][1,10]phenanthroline;2-phenyl-7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 160566107
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
2-[4-(2-phenyl-6-triphenylen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 168823379
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
2-[6-(1,10-phenanthrolin-2-yl)-3-pyridinyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445829
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline (CID 158522019) is 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline is c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4ccc(-c6ccccc6)nc45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)cc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is HMIFYTJSJRETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H28N4.C42H26N4/c1-4-12-29(13-5-1)37-27-25-33-24-26-36-41(35-18-10-11-19-38(35)46-43(36)42(33)45-37)32-22-20-31(21-23-32)40-28-39(30-14-6-2-7-15-30)47-44(48-40)34-16-8-3-9-17-34;1-3-10-31(11-4-1)39-28-40(48-44(47-39)35-12-5-2-6-13-35)32-21-17-29(18-22-32)30-19-23-33(24-20-30)41-36-15-7-8-16-38(36)46-43-37(41)26-25-34-14-9-27-45-42(34)43;1-3-12-27(13-4-1)37-26-38(46-42(45-37)29-14-5-2-6-15-29)32-23-24-33(31-18-8-7-17-30(31)32)39-34-19-9-10-20-36(34)44-41-35(39)22-21-28-16-11-25-43-40(28)41/h2*1-28H;1-26H.
What are the key properties of 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline?
7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline has a molecular weight of 1812.17 g/mol, XLogP of 32.67, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 158522019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).