7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline

C43H26N4 — CID 145180557

IUPAC7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cnc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5c6ccccc6n6c5cnc5ccccc56)cc4)ccc3c1)c1cccnc12
InChIInChI=1S/C43H26N4/c1-3-11-38-35(8-1)41(40-26-46-37-10-2-4-12-39(37)47(38)40)28-15-13-27(14-16-28)29-17-18-31-24-32(20-19-30(31)23-29)36-25-33-7-5-21-44-42(33)43-34(36)9-6-22-45-43/h1-26H
InChIKeyNKTGLEFCWUEVBV-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.89
Rot. Bonds3

About 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline

7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180557) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180557
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1cnc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5c6ccccc6n6c5cnc5ccccc56)cc4)ccc3c1)c1cccnc12
InChIInChI=1S/C43H26N4/c1-3-11-38-35(8-1)41(40-26-46-37-10-2-4-12-39(37)47(38)40)28-15-13-27(14-16-28)29-17-18-31-24-32(20-19-30(31)23-29)36-25-33-7-5-21-44-42(33)43-34(36)9-6-22-45-43/h1-26H
InChIKeyNKTGLEFCWUEVBV-UHFFFAOYSA-N
XLogP10.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.89
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

7-[4-(4-carbazol-9-ylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145180155
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180348
7-[4-[4-(6-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180542
10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 58038018
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
14-(4-naphthalen-2-ylphenyl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
CID 71229598
14-(4-phenylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229956
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
CID 151204837
13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene;13-(4-phenanthren-9-ylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene;13-phenanthren-9-yl-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 161256267

Frequently Asked Questions

What is the IUPAC name of 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline (CID 145180557) is 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline is c1cnc2c(c1)cc(-c1ccc3cc(-c4ccc(-c5c6ccccc6n6c5cnc5ccccc56)cc4)ccc3c1)c1cccnc12.
What is the InChIKey of 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is NKTGLEFCWUEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-3-11-38-35(8-1)41(40-26-46-37-10-2-4-12-39(37)47(38)40)28-15-13-27(14-16-28)29-17-18-31-24-32(20-19-30(31)23-29)36-25-33-7-5-21-44-42(33)43-34(36)9-6-22-45-43/h1-26H.
What are the key properties of 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline?
7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 598.71 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).