23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene

C49H30N4 — CID 171043992

IUPAC23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7cccc8c7c7c(cccc7n8-c7ccccc7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C49H30N4/c1-4-12-31(13-5-1)32-22-24-34(25-23-32)48-50-47(33-14-6-2-7-15-33)51-49(52-48)36-27-28-38-35(30-36)26-29-40-39-18-10-20-42-45(39)46-41(44(38)40)19-11-21-43(46)53(42)37-16-8-3-9-17-37/h1-30H
InChIKeyJKLLHKHYHZVVEP-UHFFFAOYSA-N
MW674.81 g/mol
LogP12.53
Rot. Bonds5

About 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene

23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene (PubChem CID 171043992) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
PubChem CID171043992
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7cccc8c7c7c(cccc7n8-c7ccccc7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C49H30N4/c1-4-12-31(13-5-1)32-22-24-34(25-23-32)48-50-47(33-14-6-2-7-15-33)51-49(52-48)36-27-28-38-35(30-36)26-29-40-39-18-10-20-42-45(39)46-41(44(38)40)19-11-21-43(46)53(42)37-16-8-3-9-17-37/h1-30H
InChIKeyJKLLHKHYHZVVEP-UHFFFAOYSA-N
XLogP12.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene with MolForge

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-phenyl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
CID 171044314
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
CID 171043940
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
25-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163519018
12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916168
12-[3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916096
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806
9-[3-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109000
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-phenyl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 171043959
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
12-[3-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916101

Frequently Asked Questions

What is the IUPAC name of 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The IUPAC name of 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene (CID 171043992) is 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene.
What is the SMILES notation for 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The canonical SMILES for 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7cccc8c7c7c(cccc7n8-c7ccccc7)c56)c4)n3)cc2)cc1.
What is the InChIKey of 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The InChIKey is JKLLHKHYHZVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c1-4-12-31(13-5-1)32-22-24-34(25-23-32)48-50-47(33-14-6-2-7-15-33)51-49(52-48)36-27-28-38-35(30-36)26-29-40-39-18-10-20-42-45(39)46-41(44(38)40)19-11-21-43(46)53(42)37-16-8-3-9-17-37/h1-30H.
What are the key properties of 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene has a molecular weight of 674.81 g/mol, XLogP of 12.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene is sourced from PubChem (CID 171043992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).