2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline

C40H24N2 — CID 89023621

IUPAC2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc12
InChIInChI=1S/C40H24N2/c1-2-10-30-25(8-1)15-18-28-24-29(19-21-31(28)30)37-32-11-3-5-13-34(32)38(35-14-6-4-12-33(35)37)36-22-20-27-17-16-26-9-7-23-41-39(26)40(27)42-36/h1-24H
InChIKeyLKQCXBISQSVDQC-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.73
Rot. Bonds2

About 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline

2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline (PubChem CID 89023621) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
PubChem CID89023621
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc12
InChIInChI=1S/C40H24N2/c1-2-10-30-25(8-1)15-18-28-24-29(19-21-31(28)30)37-32-11-3-5-13-34(32)38(35-14-6-4-12-33(35)37)36-22-20-27-17-16-26-9-7-23-41-39(26)40(27)42-36/h1-24H
InChIKeyLKQCXBISQSVDQC-UHFFFAOYSA-N
XLogP10.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-phenanthren-9-yl-9-(10-phenylanthracen-9-yl)-1,10-phenanthroline
CID 176908226
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
CID 176639413
2-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]-1,10-phenanthroline
CID 167412146
2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165036235
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline?
The IUPAC name of 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline (CID 89023621) is 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline is c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc12.
What is the InChIKey of 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline?
The InChIKey is LKQCXBISQSVDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-2-10-30-25(8-1)15-18-28-24-29(19-21-31(28)30)37-32-11-3-5-13-34(32)38(35-14-6-4-12-33(35)37)36-22-20-27-17-16-26-9-7-23-41-39(26)40(27)42-36/h1-24H.
What are the key properties of 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline?
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline has a molecular weight of 532.65 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline is sourced from PubChem (CID 89023621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).