12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C51H32N4 — CID 155450501

IUPAC12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4/c1-3-14-34(15-4-1)44-32-42(55-47-30-39-21-11-9-19-37(39)28-45(47)46-29-38-20-10-12-22-40(38)31-48(46)55)25-26-43(44)51-53-49(35-16-5-2-6-17-35)52-50(54-51)41-24-23-33-13-7-8-18-36(33)27-41/h1-32H
InChIKeyAZUBTOZQVVBSFR-UHFFFAOYSA-N
MW700.85 g/mol
LogP13.10
Rot. Bonds5

About 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 155450501) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID155450501
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32N4/c1-3-14-34(15-4-1)44-32-42(55-47-30-39-21-11-9-19-37(39)28-45(47)46-29-38-20-10-12-22-40(38)31-48(46)55)25-26-43(44)51-53-49(35-16-5-2-6-17-35)52-50(54-51)41-24-23-33-13-7-8-18-36(33)27-41/h1-32H
InChIKeyAZUBTOZQVVBSFR-UHFFFAOYSA-N
XLogP13.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

12-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917528
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
12-[3-naphthalen-1-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450678
12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430129
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155449985
3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477338
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155450189
12-[3-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430239
16-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654369
12-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155382795
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 155450501) is 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc3-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is AZUBTOZQVVBSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-14-34(15-4-1)44-32-42(55-47-30-39-21-11-9-19-37(39)28-45(47)46-29-38-20-10-12-22-40(38)31-48(46)55)25-26-43(44)51-53-49(35-16-5-2-6-17-35)52-50(54-51)41-24-23-33-13-7-8-18-36(33)27-41/h1-32H.
What are the key properties of 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 700.85 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 155450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).