22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

C39H23N5 — CID 158740053

IUPAC22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3c2ccc2cccnc23)cc1
InChIInChI=1S/C39H23N5/c1-2-11-24(12-3-1)31-23-34(41-36-28(31)21-20-25-13-10-22-40-35(25)36)43-33-19-9-7-17-30(33)37-39(43)42-38-29-16-5-4-14-26(29)27-15-6-8-18-32(27)44(37)38/h1-23H
InChIKeyIMEHECYYKMNWQW-UHFFFAOYSA-N
MW561.65 g/mol
LogP9.50
Rot. Bonds2

About 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (PubChem CID 158740053) has the molecular formula C39H23N5 and a molecular weight of 561.65 g/mol. Its IUPAC name is 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
PubChem CID158740053
Molecular FormulaC39H23N5
Molecular Weight561.65 g/mol
Exact Mass561.20
IUPAC Name22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3c2ccc2cccnc23)cc1
InChIInChI=1S/C39H23N5/c1-2-11-24(12-3-1)31-23-34(41-36-28(31)21-20-25-13-10-22-40-35(25)36)43-33-19-9-7-17-30(33)37-39(43)42-38-29-16-5-4-14-26(29)27-15-6-8-18-32(27)44(37)38/h1-23H
InChIKeyIMEHECYYKMNWQW-UHFFFAOYSA-N
XLogP9.50
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene with MolForge

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Related Compounds

22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212459
22-(3-phenylphenyl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212575
22-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[4-[2-(14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaen-22-yl)-1,8-naphthyridin-4-yl]phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2(7),3,5,8,10,12,15(23),16,18,20-undecaene
CID 135212460
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
22-[3,5-di(carbazol-9-yl)phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 159421788
22-(4-naphthalen-2-ylquinazolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212372
12-(4-phenyl-2-pyridinyl)-1,12,15-triazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331044
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
CID 118403826
2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 156577559
22-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212722
12-(2,6-diphenylpyrimidin-4-yl)-1,12,15-triazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331016
12-(1,10-phenanthrolin-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 118501870

Frequently Asked Questions

What is the IUPAC name of 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The IUPAC name of 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene (CID 158740053) is 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene.
What is the SMILES notation for 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The canonical SMILES for 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4c3nc3c5ccccc5c5ccccc5n34)nc3c2ccc2cccnc23)cc1.
What is the InChIKey of 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
The InChIKey is IMEHECYYKMNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5/c1-2-11-24(12-3-1)31-23-34(41-36-28(31)21-20-25-13-10-22-40-35(25)36)43-33-19-9-7-17-30(33)37-39(43)42-38-29-16-5-4-14-26(29)27-15-6-8-18-32(27)44(37)38/h1-23H.
What are the key properties of 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene?
22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene has a molecular weight of 561.65 g/mol, XLogP of 9.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(4-phenyl-1,10-phenanthrolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene is sourced from PubChem (CID 158740053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).