3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C58H37N5 — CID 129123689

IUPAC3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)nc(-c6ccc(-c7ccncc7)cc6)c5)c4)c23)cc1
InChIInChI=1S/C58H37N5/c1-2-9-44(10-3-1)57-51-26-25-49-48-13-5-7-16-55(48)63(58(49)56(51)50-14-4-6-15-52(50)62-57)47-12-8-11-45(35-47)46-36-53(42-21-17-38(18-22-42)40-27-31-59-32-28-40)61-54(37-46)43-23-19-39(20-24-43)41-29-33-60-34-30-41/h1-37H
InChIKeyKFONRQRVKLQESR-UHFFFAOYSA-N
MW803.97 g/mol
LogP14.67
Rot. Bonds7

About 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 129123689) has the molecular formula C58H37N5 and a molecular weight of 803.97 g/mol. Its IUPAC name is 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID129123689
Molecular FormulaC58H37N5
Molecular Weight803.97 g/mol
Exact Mass803.30
IUPAC Name3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)nc(-c6ccc(-c7ccncc7)cc6)c5)c4)c23)cc1
InChIInChI=1S/C58H37N5/c1-2-9-44(10-3-1)57-51-26-25-49-48-13-5-7-16-55(48)63(58(49)56(51)50-14-4-6-15-52(50)62-57)47-12-8-11-45(35-47)46-36-53(42-21-17-38(18-22-42)40-27-31-59-32-28-40)61-54(37-46)43-23-19-39(20-24-43)41-29-33-60-34-30-41/h1-37H
InChIKeyKFONRQRVKLQESR-UHFFFAOYSA-N
XLogP14.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124079
14-phenyl-3-[3-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123832
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-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 164723983
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
6-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-(4-carbazol-9-ylphenyl)phenyl]benzo[k]phenanthridine;6-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 158944758
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
3-(3-diphenylphosphorylphenyl)-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123835
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 129123689) is 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)nc(-c6ccc(-c7ccncc7)cc6)c5)c4)c23)cc1.
What is the InChIKey of 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is KFONRQRVKLQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N5/c1-2-9-44(10-3-1)57-51-26-25-49-48-13-5-7-16-55(48)63(58(49)56(51)50-14-4-6-15-52(50)62-57)47-12-8-11-45(35-47)46-36-53(42-21-17-38(18-22-42)40-27-31-59-32-28-40)61-54(37-46)43-23-19-39(20-24-43)41-29-33-60-34-30-41/h1-37H.
What are the key properties of 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 803.97 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 129123689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).