2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline

C123H75N5 — CID 162174133

IUPAC2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5n4)c4cc(-c5ccccc5)ccc4cc3c2)cc1.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5n4)c4c3ccc3ccccc34)cc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)nc12
InChIInChI=1S/C45H27N.C39H23N3.C39H25N/c1-4-12-34-28(9-1)17-18-31-20-22-33(27-40(31)34)42-37-15-7-8-16-38(37)44(43-35-13-5-2-10-29(35)23-25-39(42)43)41-26-24-32-21-19-30-11-3-6-14-36(30)45(32)46-41;1-2-10-28-24(8-1)15-16-26-19-21-33(41-37(26)28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)34-22-20-27-18-17-25-9-7-23-40-38(25)39(27)42-34;1-3-9-26(10-4-1)30-19-21-34-33(23-30)24-32-18-17-31(27-11-5-2-6-12-27)25-36(32)38(34)37-22-20-29-16-15-28-13-7-8-14-35(28)39(29)40-37/h1-27H;1-23H;1-25H
InChIKeyZODZDGTVXOYCQY-UHFFFAOYSA-N
MW1622.99 g/mol
LogP33.31
Rot. Bonds7

About 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline

2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline (PubChem CID 162174133) has the molecular formula C123H75N5 and a molecular weight of 1622.99 g/mol. Its IUPAC name is 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline
PubChem CID162174133
Molecular FormulaC123H75N5
Molecular Weight1622.99 g/mol
Exact Mass1621.60
IUPAC Name2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5n4)c4cc(-c5ccccc5)ccc4cc3c2)cc1.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5n4)c4c3ccc3ccccc34)cc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)nc12
InChIInChI=1S/C45H27N.C39H23N3.C39H25N/c1-4-12-34-28(9-1)17-18-31-20-22-33(27-40(31)34)42-37-15-7-8-16-38(37)44(43-35-13-5-2-10-29(35)23-25-39(42)43)41-26-24-32-21-19-30-11-3-6-14-36(30)45(32)46-41;1-2-10-28-24(8-1)15-16-26-19-21-33(41-37(26)28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)34-22-20-27-18-17-25-9-7-23-40-38(25)39(27)42-34;1-3-9-26(10-4-1)30-19-21-34-33(23-30)24-32-18-17-31(27-11-5-2-6-12-27)25-36(32)38(34)37-22-20-29-16-15-28-13-7-8-14-35(28)39(29)40-37/h1-27H;1-23H;1-25H
InChIKeyZODZDGTVXOYCQY-UHFFFAOYSA-N
XLogP33.31
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001622.99
LogP ≤ 533.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline with MolForge

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Related Compounds

2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323929
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
CID 139407490
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
7-[4-[4-(3,6-diphenylphenanthren-1-yl)phenyl]phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[7-(6-phenylphenanthren-1-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 159833113
9-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 137158075
2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
2-phenanthren-9-yl-9-(10-phenylanthracen-9-yl)-1,10-phenanthroline
CID 176908226

Frequently Asked Questions

What is the IUPAC name of 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline?
The IUPAC name of 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline (CID 162174133) is 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline.
What is the SMILES notation for 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline?
The canonical SMILES for 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline is c1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5n4)c4cc(-c5ccccc5)ccc4cc3c2)cc1.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6ccccc6c5n4)c4c3ccc3ccccc34)cc12.c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)nc12.
What is the InChIKey of 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline?
The InChIKey is ZODZDGTVXOYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N.C39H23N3.C39H25N/c1-4-12-34-28(9-1)17-18-31-20-22-33(27-40(31)34)42-37-15-7-8-16-38(37)44(43-35-13-5-2-10-29(35)23-25-39(42)43)41-26-24-32-21-19-30-11-3-6-14-36(30)45(32)46-41;1-2-10-28-24(8-1)15-16-26-19-21-33(41-37(26)28)35-29-11-3-5-13-31(29)36(32-14-6-4-12-30(32)35)34-22-20-27-18-17-25-9-7-23-40-38(25)39(27)42-34;1-3-9-26(10-4-1)30-19-21-34-33(23-30)24-32-18-17-31(27-11-5-2-6-12-27)25-36(32)38(34)37-22-20-29-16-15-28-13-7-8-14-35(28)39(29)40-37/h1-27H;1-23H;1-25H.
What are the key properties of 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline?
2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline has a molecular weight of 1622.99 g/mol, XLogP of 33.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-benzo[h]quinolin-2-ylanthracen-9-yl)-1,10-phenanthroline;2-(2,6-diphenylanthracen-9-yl)benzo[h]quinoline;2-(7-phenanthren-3-ylbenzo[a]anthracen-12-yl)benzo[h]quinoline is sourced from PubChem (CID 162174133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).