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

C48H31N3 — CID 129122609

IUPAC14-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)36-28-44(33-16-6-2-7-17-33)49-45(29-36)34-24-26-35(27-25-34)48-42-31-47-41(30-40(42)38-20-10-12-22-43(38)50-48)39-21-11-13-23-46(39)51(47)37-18-8-3-9-19-37/h1-31H
InChIKeyAQSKRHKBOGGYGL-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 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

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 (PubChem CID 129122609) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID129122609
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name14-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)36-28-44(33-16-6-2-7-17-33)49-45(29-36)34-24-26-35(27-25-34)48-42-31-47-41(30-40(42)38-20-10-12-22-43(38)50-48)39-21-11-13-23-46(39)51(47)37-18-8-3-9-19-37/h1-31H
InChIKeyAQSKRHKBOGGYGL-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
17-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584322
4-phenyl-N-[4-(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-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 129122689
10-phenyl-14-(4-triphenylen-2-ylphenyl)-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 129122722
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
18-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584434
10,21-diphenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-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 160907570
11-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 158072989
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
16-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
CID 153020194
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is AQSKRHKBOGGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-14-32(15-5-1)36-28-44(33-16-6-2-7-17-33)49-45(29-36)34-24-26-35(27-25-34)48-42-31-47-41(30-40(42)38-20-10-12-22-43(38)50-48)39-21-11-13-23-46(39)51(47)37-18-8-3-9-19-37/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129122609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).