10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

C55H34N4 — CID 166584501

IUPAC10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7nc(-c8ccccc8)c8cc9c(cc8c67)c6ccccc6n9-c6ccccc6)cc5)nc4c3n2)cc1
InChIInChI=1S/C55H34N4/c1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-21-49-52(42)45-33-44-43-19-10-11-22-50(43)59(41-17-8-3-9-18-41)51(44)34-46(45)53(58-49)38-15-6-2-7-16-38/h1-34H
InChIKeyJJGHBQNXNAAKGN-UHFFFAOYSA-N
MW750.90 g/mol
LogP14.25
Rot. Bonds5

About 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (PubChem CID 166584501) has the molecular formula C55H34N4 and a molecular weight of 750.90 g/mol. Its IUPAC name is 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
PubChem CID166584501
Molecular FormulaC55H34N4
Molecular Weight750.90 g/mol
Exact Mass750.28
IUPAC Name10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7nc(-c8ccccc8)c8cc9c(cc8c67)c6ccccc6n9-c6ccccc6)cc5)nc4c3n2)cc1
InChIInChI=1S/C55H34N4/c1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-21-49-52(42)45-33-44-43-19-10-11-22-50(43)59(41-17-8-3-9-18-41)51(44)34-46(45)53(58-49)38-15-6-2-7-16-38/h1-34H
InChIKeyJJGHBQNXNAAKGN-UHFFFAOYSA-N
XLogP14.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene with MolForge

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Related Compounds

20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584523
20-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584758
10,21-diphenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 159109169
13,18-diphenyl-9-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-12,18-diazahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene
CID 166584633
10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122143
11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 138533190
9,14-diphenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 164724023
21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122933
14-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122609
3,14-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164724143
9,14-diphenyl-19-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 148533099
5-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 164724056

Frequently Asked Questions

What is the IUPAC name of 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene (CID 166584501) is 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7nc(-c8ccccc8)c8cc9c(cc8c67)c6ccccc6n9-c6ccccc6)cc5)nc4c3n2)cc1.
What is the InChIKey of 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
The InChIKey is JJGHBQNXNAAKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-21-49-52(42)45-33-44-43-19-10-11-22-50(43)59(41-17-8-3-9-18-41)51(44)34-46(45)53(58-49)38-15-6-2-7-16-38/h1-34H.
What are the key properties of 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene?
10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene has a molecular weight of 750.90 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-diphenyl-20-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 166584501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).