5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline

C138H80N10 — CID 159404052

IUPAC5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline
SMILESc1ccc(-c2ccc3ccc4c(-c5cnc6ccccc6c5)ccc5ccc2c3c54)nc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7cccnc67)ccc6ccc3c4c65)cncc2c1.c1ccc2ncc(-c3ccc4ccc5c(-c6cnc7ccccc7c6)ccc6ccc3c4c65)cc2c1.c1cnc2c(c1)cc(-c1ccc3ccc4c(-c5cc6cccnc6c6ncccc56)ccc5ccc1c3c54)c1cccnc12
InChIInChI=1S/C40H22N4.2C34H20N2.C30H18N2/c1-5-25-21-33(31-7-3-19-43-39(31)37(25)41-17-1)27-13-9-23-12-16-30-28(14-10-24-11-15-29(27)35(23)36(24)30)34-22-26-6-2-18-42-38(26)40-32(34)8-4-20-44-40;1-3-7-31-23(5-1)17-25(19-35-31)27-13-9-21-12-16-30-28(14-10-22-11-15-29(27)33(21)34(22)30)26-18-24-6-2-4-8-32(24)36-20-26;1-2-8-25-24(5-1)19-35-20-31(25)27-15-11-22-12-16-28-26(14-10-21-13-17-29(27)33(22)32(21)28)30-9-3-6-23-7-4-18-36-34(23)30;1-2-6-27-21(5-1)17-22(18-32-27)23-12-8-19-11-15-26-24(28-7-3-4-16-31-28)13-9-20-10-14-25(23)29(19)30(20)26/h1-22H;2*1-20H;1-18H
InChIKeyLNSKYMYEELUCII-UHFFFAOYSA-N
MW1878.23 g/mol
LogP36.00
Rot. Bonds8

About 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline

5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline (PubChem CID 159404052) has the molecular formula C138H80N10 and a molecular weight of 1878.23 g/mol. Its IUPAC name is 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline.

Molecular Properties

Compound Name5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline
PubChem CID159404052
Molecular FormulaC138H80N10
Molecular Weight1878.23 g/mol
Exact Mass1876.66
IUPAC Name5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline
SMILESc1ccc(-c2ccc3ccc4c(-c5cnc6ccccc6c5)ccc5ccc2c3c54)nc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7cccnc67)ccc6ccc3c4c65)cncc2c1.c1ccc2ncc(-c3ccc4ccc5c(-c6cnc7ccccc7c6)ccc6ccc3c4c65)cc2c1.c1cnc2c(c1)cc(-c1ccc3ccc4c(-c5cc6cccnc6c6ncccc56)ccc5ccc1c3c54)c1cccnc12
InChIInChI=1S/C40H22N4.2C34H20N2.C30H18N2/c1-5-25-21-33(31-7-3-19-43-39(31)37(25)41-17-1)27-13-9-23-12-16-30-28(14-10-24-11-15-29(27)35(23)36(24)30)34-22-26-6-2-18-42-38(26)40-32(34)8-4-20-44-40;1-3-7-31-23(5-1)17-25(19-35-31)27-13-9-21-12-16-30-28(14-10-22-11-15-29(27)33(21)34(22)30)26-18-24-6-2-4-8-32(24)36-20-26;1-2-8-25-24(5-1)19-35-20-31(25)27-15-11-22-12-16-28-26(14-10-21-13-17-29(27)33(22)32(21)28)30-9-3-6-23-7-4-18-36-34(23)30;1-2-6-27-21(5-1)17-22(18-32-27)23-12-8-19-11-15-26-24(28-7-3-4-16-31-28)13-9-20-10-14-25(23)29(19)30(20)26/h1-22H;2*1-20H;1-18H
InChIKeyLNSKYMYEELUCII-UHFFFAOYSA-N
XLogP36.00
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001878.23
LogP ≤ 536.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline with MolForge

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Related Compounds

2-(3,8-dipyridin-2-ylpyren-1-yl)pyridine;3-(6,8-dipyridin-2-ylpyren-1-yl)quinoline;2-(3-pyridin-2-yl-6-pyridin-3-ylpyren-1-yl)pyridine;2-(3-pyridin-2-yl-8-pyridin-3-ylpyren-1-yl)quinoline
CID 160769683
2-pyridin-3-yl-9-(6-quinolin-3-ylpyren-1-yl)-1,10-phenanthroline
CID 134167770
5-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 167411452
6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine
CID 158293678
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
4-[4-[6-(2-pyren-1-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 129208858
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
8-[4-pyridin-2-yl-6-[6-(4-pyridin-2-yl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 168782523
8-[4-[6-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 168782527
2-(6-phenylpyren-1-yl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167755
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988

Frequently Asked Questions

What is the IUPAC name of 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline?
The IUPAC name of 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline (CID 159404052) is 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline.
What is the SMILES notation for 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline?
The canonical SMILES for 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline is c1ccc(-c2ccc3ccc4c(-c5cnc6ccccc6c5)ccc5ccc2c3c54)nc1.c1ccc2c(-c3ccc4ccc5c(-c6cccc7cccnc67)ccc6ccc3c4c65)cncc2c1.c1ccc2ncc(-c3ccc4ccc5c(-c6cnc7ccccc7c6)ccc6ccc3c4c65)cc2c1.c1cnc2c(c1)cc(-c1ccc3ccc4c(-c5cc6cccnc6c6ncccc56)ccc5ccc1c3c54)c1cccnc12.
What is the InChIKey of 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline?
The InChIKey is LNSKYMYEELUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4.2C34H20N2.C30H18N2/c1-5-25-21-33(31-7-3-19-43-39(31)37(25)41-17-1)27-13-9-23-12-16-30-28(14-10-24-11-15-29(27)35(23)36(24)30)34-22-26-6-2-18-42-38(26)40-32(34)8-4-20-44-40;1-3-7-31-23(5-1)17-25(19-35-31)27-13-9-21-12-16-30-28(14-10-22-11-15-29(27)33(21)34(22)30)26-18-24-6-2-4-8-32(24)36-20-26;1-2-8-25-24(5-1)19-35-20-31(25)27-15-11-22-12-16-28-26(14-10-21-13-17-29(27)33(22)32(21)28)30-9-3-6-23-7-4-18-36-34(23)30;1-2-6-27-21(5-1)17-22(18-32-27)23-12-8-19-11-15-26-24(28-7-3-4-16-31-28)13-9-20-10-14-25(23)29(19)30(20)26/h1-22H;2*1-20H;1-18H.
What are the key properties of 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline?
5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline has a molecular weight of 1878.23 g/mol, XLogP of 36.00, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline is sourced from PubChem (CID 159404052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).