2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline

C42H26N4 — CID 134167733

IUPAC2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7nccnc7c6)c5)nc4c3n2)c1
InChIInChI=1S/C42H26N4/c1-2-6-30-23-33(14-11-27(30)5-1)31-7-3-9-35(24-31)37-18-15-28-12-13-29-16-19-38(46-42(29)41(28)45-37)36-10-4-8-32(25-36)34-17-20-39-40(26-34)44-22-21-43-39/h1-26H
InChIKeyNTXIUOGXHHZSFW-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

About 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline

2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline (PubChem CID 134167733) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline
PubChem CID134167733
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7nccnc7c6)c5)nc4c3n2)c1
InChIInChI=1S/C42H26N4/c1-2-6-30-23-33(14-11-27(30)5-1)31-7-3-9-35(24-31)37-18-15-28-12-13-29-16-19-38(46-42(29)41(28)45-37)36-10-4-8-32(25-36)34-17-20-39-40(26-34)44-22-21-43-39/h1-26H
InChIKeyNTXIUOGXHHZSFW-UHFFFAOYSA-N
XLogP10.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
CID 171732224
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
2-naphthalen-2-yl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779413
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
22-(3-pyridin-2-ylphenyl)-52,55-diazatridecacyclo[41.8.4.22,5.211,14.230,33.239,42.16,10.115,19.120,24.125,29.134,38.046,54.049,53]octahexaconta-1(52),2(68),3,5(67),6,8,10(66),11(65),12,14(64),15(63),16,18,20(62),21,23,25,27,29(61),30,32,34(58),35,37,39,41,43(55),44,46(54),47,49(53),50,56,59-tetratriacontaene
CID 140920150
32,56,61-triazapentadecacyclo[53.2.2.27,57.28,11.212,15.221,24.225,28.239,42.243,46.247,50.251,54.116,20.129,33.134,38.04,60]octaconta-1(57),2,4(60),5,7(61),8(80),9,11(79),12(78),13,15(77),16,18,20(76),21(75),22,24(74),25(73),26,28(72),29(71),30,32,34,36,38(70),39,41,43,45,47,49,51,53,55,58,62,64,66,68-tetracontaene
CID 140920223
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline (CID 134167733) is 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7nccnc7c6)c5)nc4c3n2)c1.
What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline?
The InChIKey is NTXIUOGXHHZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-2-6-30-23-33(14-11-27(30)5-1)31-7-3-9-35(24-31)37-18-15-28-12-13-29-16-19-38(46-42(29)41(28)45-37)36-10-4-8-32(25-36)34-17-20-39-40(26-34)44-22-21-43-39/h1-26H.
What are the key properties of 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline?
2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134167733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).