2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline

C33H21N — CID 59282390

IUPAC2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
SMILESc1ccc(-c2cc3cc(-c4ccc5ccccc5n4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C33H21N/c1-2-10-22(11-3-1)29-20-24-21-30(32-19-18-23-12-4-9-17-31(23)34-32)26-14-6-8-16-28(26)33(24)27-15-7-5-13-25(27)29/h1-21H
InChIKeyUPAPWUUEULZXRS-UHFFFAOYSA-N
MW431.54 g/mol
LogP9.03
Rot. Bonds2

About 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline

2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline (PubChem CID 59282390) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline.

Molecular Properties

Compound Name2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
PubChem CID59282390
Molecular FormulaC33H21N
Molecular Weight431.54 g/mol
Exact Mass431.17
IUPAC Name2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
SMILESc1ccc(-c2cc3cc(-c4ccc5ccccc5n4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C33H21N/c1-2-10-22(11-3-1)29-20-24-21-30(32-19-18-23-12-4-9-17-31(23)34-32)26-14-6-8-16-28(26)33(24)27-15-7-5-13-25(27)29/h1-21H
InChIKeyUPAPWUUEULZXRS-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_3', 'substructure': 'N/A'}

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Related Compounds

5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913
2-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)quinoline
CID 59330321
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
iridium;tris(2-phenylquinoline)
CID 122129463
2,9-bis(benzo[c]phenanthren-5-yl)-1,10-phenanthroline
CID 88544816
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline
CID 155022949
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 159967582
5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236

Frequently Asked Questions

What is the IUPAC name of 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline?
The IUPAC name of 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline (CID 59282390) is 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline.
What is the SMILES notation for 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline?
The canonical SMILES for 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline is c1ccc(-c2cc3cc(-c4ccc5ccccc5n4)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline?
The InChIKey is UPAPWUUEULZXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-2-10-22(11-3-1)29-20-24-21-30(32-19-18-23-12-4-9-17-31(23)34-32)26-14-6-8-16-28(26)33(24)27-15-7-5-13-25(27)29/h1-21H.
What are the key properties of 2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline?
2-(8-phenylbenzo[c]phenanthren-5-yl)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-(8-phenylbenzo[c]phenanthren-5-yl)quinoline is sourced from PubChem (CID 59282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).