10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C49H34N6 — CID 163497985

IUPAC10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3C(c3cccc(-n4cccn4)c3)(c3cccc(-n4cccn4)c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C49H34N6/c1-3-17-37(18-4-1)54-45-25-9-7-23-41(45)42-33-44-48(34-47(42)54)55(38-19-5-2-6-20-38)46-26-10-8-24-43(46)49(44,35-15-11-21-39(31-35)52-29-13-27-50-52)36-16-12-22-40(32-36)53-30-14-28-51-53/h1-34H
InChIKeyCSIURCRMAJYRAT-UHFFFAOYSA-N
MW706.85 g/mol
LogP11.32
Rot. Bonds6

About 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 163497985) has the molecular formula C49H34N6 and a molecular weight of 706.85 g/mol. Its IUPAC name is 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID163497985
Molecular FormulaC49H34N6
Molecular Weight706.85 g/mol
Exact Mass706.28
IUPAC Name10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(N2c3ccccc3C(c3cccc(-n4cccn4)c3)(c3cccc(-n4cccn4)c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C49H34N6/c1-3-17-37(18-4-1)54-45-25-9-7-23-41(45)42-33-44-48(34-47(42)54)55(38-19-5-2-6-20-38)46-26-10-8-24-43(46)49(44,35-15-11-21-39(31-35)52-29-13-27-50-52)36-16-12-22-40(32-36)53-30-14-28-51-53/h1-34H
InChIKeyCSIURCRMAJYRAT-UHFFFAOYSA-N
XLogP11.32
TPSA43.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869
14-(3-carbazol-9-ylphenyl)-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
CID 138577445
14-[4-(9,9-dimethylacridin-10-yl)phenyl]-10-phenylspiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,7'-3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
CID 138577506
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]aniline;N-(4-phenylphenyl)-N-(4-pyridin-4-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 159826342
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177278031
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
13,13-diphenyl-5-(9,9,10-triphenylacridin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 71036448
9-dibenzothiophen-3-yl-9-phenyl-10-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]acridine
CID 146909198

Frequently Asked Questions

What is the IUPAC name of 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 163497985) is 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc(N2c3ccccc3C(c3cccc(-n4cccn4)c3)(c3cccc(-n4cccn4)c3)c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is CSIURCRMAJYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N6/c1-3-17-37(18-4-1)54-45-25-9-7-23-41(45)42-33-44-48(34-47(42)54)55(38-19-5-2-6-20-38)46-26-10-8-24-43(46)49(44,35-15-11-21-39(31-35)52-29-13-27-50-52)36-16-12-22-40(32-36)53-30-14-28-51-53/h1-34H.
What are the key properties of 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 706.85 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-diphenyl-21,21-bis(3-pyrazol-1-ylphenyl)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 163497985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).