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

C134H80N12 — CID 158696446

IUPAC7-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7c8ccccc8nc8c7ccc7cccnc78)ccc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)c5)nc4c3n2)cc1
InChIInChI=1S/C46H28N4.2C44H26N4/c1-3-10-29(11-4-1)38-25-21-31-18-19-32-23-27-40(49-44(32)43(31)47-38)34-14-9-15-35(28-34)42-36-16-7-8-17-41(36)50-46-37(42)24-20-33-22-26-39(48-45(33)46)30-12-5-2-6-13-30;1-2-9-27(10-3-1)37-24-19-29-16-17-30-20-25-39(47-43(30)42(29)46-37)33-22-23-34(32-13-5-4-12-31(32)33)40-35-14-6-7-15-38(35)48-44-36(40)21-18-28-11-8-26-45-41(28)44;1-2-7-27(8-3-1)37-22-19-29-12-13-30-20-23-38(47-43(30)42(29)46-37)33-16-14-32-26-34(17-15-31(32)25-33)40-35-10-4-5-11-39(35)48-44-36(40)21-18-28-9-6-24-45-41(28)44/h1-28H;2*1-26H
InChIKeyIGZUZHYOVISBRI-UHFFFAOYSA-N
MW1858.20 g/mol
LogP34.07
Rot. Bonds10

About 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

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 (PubChem CID 158696446) has the molecular formula C134H80N12 and a molecular weight of 1858.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID158696446
Molecular FormulaC134H80N12
Molecular Weight1858.20 g/mol
Exact Mass1856.66
IUPAC Name7-[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
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7c8ccccc8nc8c7ccc7cccnc78)ccc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)c5)nc4c3n2)cc1
InChIInChI=1S/C46H28N4.2C44H26N4/c1-3-10-29(11-4-1)38-25-21-31-18-19-32-23-27-40(49-44(32)43(31)47-38)34-14-9-15-35(28-34)42-36-16-7-8-17-41(36)50-46-37(42)24-20-33-22-26-39(48-45(33)46)30-12-5-2-6-13-30;1-2-9-27(10-3-1)37-24-19-29-16-17-30-20-25-39(47-43(30)42(29)46-37)33-22-23-34(32-13-5-4-12-31(32)33)40-35-14-6-7-15-38(35)48-44-36(40)21-18-28-11-8-26-45-41(28)44;1-2-7-27(8-3-1)37-22-19-29-12-13-30-20-23-38(47-43(30)42(29)46-37)33-16-14-32-26-34(17-15-31(32)25-33)40-35-10-4-5-11-39(35)48-44-36(40)21-18-28-9-6-24-45-41(28)44/h1-28H;2*1-26H
InChIKeyIGZUZHYOVISBRI-UHFFFAOYSA-N
XLogP34.07
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.20
LogP ≤ 534.07
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-(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 with MolForge

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Related Compounds

7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
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
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 159251895
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
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-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7c8ccccc8nc8c7ccc7cccnc78)ccc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6c7ccccc7nc7c6ccc6ccc(-c8ccccc8)nc67)c5)nc4c3n2)cc1.
What is the InChIKey of 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?
The InChIKey is IGZUZHYOVISBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.2C44H26N4/c1-3-10-29(11-4-1)38-25-21-31-18-19-32-23-27-40(49-44(32)43(31)47-38)34-14-9-15-35(28-34)42-36-16-7-8-17-41(36)50-46-37(42)24-20-33-22-26-39(48-45(33)46)30-12-5-2-6-13-30;1-2-9-27(10-3-1)37-24-19-29-16-17-30-20-25-39(47-43(30)42(29)46-37)33-22-23-34(32-13-5-4-12-31(32)33)40-35-14-6-7-15-38(35)48-44-36(40)21-18-28-11-8-26-45-41(28)44;1-2-7-27(8-3-1)37-22-19-29-12-13-30-20-23-38(47-43(30)42(29)46-37)33-16-14-32-26-34(17-15-31(32)25-33)40-35-10-4-5-11-39(35)48-44-36(40)21-18-28-9-6-24-45-41(28)44/h1-28H;2*1-26H.
What are the key properties of 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?
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 has a molecular weight of 1858.20 g/mol, XLogP of 34.07, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158696446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).