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

C31H20N2 — CID 129122143

IUPAC10,21-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
SMILESc1ccc(-c2nc3ccccc3c3cc4c(cc23)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C31H20N2/c1-3-11-21(12-4-1)31-27-19-26-24-16-8-10-18-29(24)33(22-13-5-2-6-14-22)30(26)20-25(27)23-15-7-9-17-28(23)32-31/h1-20H
InChIKeyOGKKNJVVNVTAMQ-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.15
Rot. Bonds2

About 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

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 (PubChem CID 129122143) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,21-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
PubChem CID129122143
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name10,21-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
SMILESc1ccc(-c2nc3ccccc3c3cc4c(cc23)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C31H20N2/c1-3-11-21(12-4-1)31-27-19-26-24-16-8-10-18-29(24)33(22-13-5-2-6-14-22)30(26)20-25(27)23-15-7-9-17-28(23)32-31/h1-20H
InChIKeyOGKKNJVVNVTAMQ-UHFFFAOYSA-N
XLogP8.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)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 129122750
14-[4-(10-naphthalen-2-ylanthracen-9-yl)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 129122547
10,21-diphenyl-17-[3-(6-phenylphenanthren-3-yl)phenyl]-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 166584592
7-[3-[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-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 164723929
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-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 164723877
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
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-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 164723927

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3ccccc3c3cc4c(cc23)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is OGKKNJVVNVTAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c1-3-11-21(12-4-1)31-27-19-26-24-16-8-10-18-29(24)33(22-13-5-2-6-14-22)30(26)20-25(27)23-15-7-9-17-28(23)32-31/h1-20H.
What are the key properties of 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?
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 has a molecular weight of 420.52 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129122143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).