2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline

C34H21N3 — CID 163639203

IUPAC2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline
SMILESc1cc2c(c(-c3cccc4cnccc34)c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1C2
InChIInChI=1S/C34H21N3/c1-4-25-18-23-11-12-24(31-14-13-22-10-9-21-6-3-16-36-33(21)34(22)37-31)19-30(23)32(25)29(8-1)28-7-2-5-26-20-35-17-15-27(26)28/h1-17,19-20H,18H2
InChIKeyICSPYTJHFJRKRQ-UHFFFAOYSA-N
MW471.56 g/mol
LogP8.24
Rot. Bonds2

About 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline

2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline (PubChem CID 163639203) has the molecular formula C34H21N3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline
PubChem CID163639203
Molecular FormulaC34H21N3
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline
SMILESc1cc2c(c(-c3cccc4cnccc34)c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1C2
InChIInChI=1S/C34H21N3/c1-4-25-18-23-11-12-24(31-14-13-22-10-9-21-6-3-16-36-33(21)34(22)37-31)19-30(23)32(25)29(8-1)28-7-2-5-26-20-35-17-15-27(26)28/h1-17,19-20H,18H2
InChIKeyICSPYTJHFJRKRQ-UHFFFAOYSA-N
XLogP8.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9-isoquinolin-5-yldibenzothiophen-2-yl)-1,10-phenanthroline
CID 153277511
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[17,29-bis(1,10-phenanthrolin-2-yl)-4-nonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15(20),16,18,21,23,25,27(32),28,30,33,35,37-octadecaenyl]-1,10-phenanthroline
CID 59096375
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[4-[6-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023293
2-[10-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]anthracen-9-yl]-1,10-phenanthroline;2-[4-[7-(2-isoquinolin-8-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 165012040
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164780676
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
5-(2-methoxy-3-pyridinyl)isoquinoline
CID 102599406
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-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline (CID 163639203) is 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline is c1cc2c(c(-c3cccc4cnccc34)c1)-c1cc(-c3ccc4ccc5cccnc5c4n3)ccc1C2.
What is the InChIKey of 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline?
The InChIKey is ICSPYTJHFJRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3/c1-4-25-18-23-11-12-24(31-14-13-22-10-9-21-6-3-16-36-33(21)34(22)37-31)19-30(23)32(25)29(8-1)28-7-2-5-26-20-35-17-15-27(26)28/h1-17,19-20H,18H2.
What are the key properties of 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline?
2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline has a molecular weight of 471.56 g/mol, XLogP of 8.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-isoquinolin-5-yl-9H-fluoren-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 163639203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).