2-(10-phenylanthracen-9-yl)benzo[h]quinoline

C33H21N — CID 59629573

IUPAC2-(10-phenylanthracen-9-yl)benzo[h]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C33H21N/c1-2-11-23(12-3-1)31-26-14-6-8-16-28(26)32(29-17-9-7-15-27(29)31)30-21-20-24-19-18-22-10-4-5-13-25(22)33(24)34-30/h1-21H
InChIKeyRVGGGPNMLPYWKU-UHFFFAOYSA-N
MW431.54 g/mol
LogP9.03
Rot. Bonds2

About 2-(10-phenylanthracen-9-yl)benzo[h]quinoline

2-(10-phenylanthracen-9-yl)benzo[h]quinoline (PubChem CID 59629573) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(10-phenylanthracen-9-yl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(10-phenylanthracen-9-yl)benzo[h]quinoline
PubChem CID59629573
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name2-(10-phenylanthracen-9-yl)benzo[h]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C33H21N/c1-2-11-23(12-3-1)31-26-14-6-8-16-28(26)32(29-17-9-7-15-27(29)31)30-21-20-24-19-18-22-10-4-5-13-25(22)33(24)34-30/h1-21H
InChIKeyRVGGGPNMLPYWKU-UHFFFAOYSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-phenanthren-9-yl-9-(10-phenylanthracen-9-yl)-1,10-phenanthroline
CID 176908226
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline
CID 167363762
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
CID 58323802
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
CID 176639413
2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139446127
CID 89063916
CID 89063916

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenylanthracen-9-yl)benzo[h]quinoline?
The IUPAC name of 2-(10-phenylanthracen-9-yl)benzo[h]quinoline (CID 59629573) is 2-(10-phenylanthracen-9-yl)benzo[h]quinoline.
What is the SMILES notation for 2-(10-phenylanthracen-9-yl)benzo[h]quinoline?
The canonical SMILES for 2-(10-phenylanthracen-9-yl)benzo[h]quinoline is c1ccc(-c2c3ccccc3c(-c3ccc4ccc5ccccc5c4n3)c3ccccc23)cc1.
What is the InChIKey of 2-(10-phenylanthracen-9-yl)benzo[h]quinoline?
The InChIKey is RVGGGPNMLPYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-2-11-23(12-3-1)31-26-14-6-8-16-28(26)32(29-17-9-7-15-27(29)31)30-21-20-24-19-18-22-10-4-5-13-25(22)33(24)34-30/h1-21H.
What are the key properties of 2-(10-phenylanthracen-9-yl)benzo[h]quinoline?
2-(10-phenylanthracen-9-yl)benzo[h]quinoline has a molecular weight of 431.54 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenylanthracen-9-yl)benzo[h]quinoline is sourced from PubChem (CID 59629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).