23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene

C47H28N4 — CID 162733500

IUPAC23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6cccc7c8ccccc8c8c9ccccc9cc5c8c76)cccc34)n2)cc1
InChIInChI=1S/C47H28N4/c1-3-14-29(15-4-1)45-48-46(30-16-5-2-6-17-30)50-47(49-45)38-25-11-23-35-33(38)22-12-26-39(35)51-40-27-13-24-37-34-20-9-10-21-36(34)42-32-19-8-7-18-31(32)28-41(51)44(42)43(37)40/h1-28H
InChIKeySEIABEFKNVUEDI-UHFFFAOYSA-N
MW648.77 g/mol
LogP12.02
Rot. Bonds4

About 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene

23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene (PubChem CID 162733500) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene.

Molecular Properties

Compound Name23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
PubChem CID162733500
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6cccc7c8ccccc8c8c9ccccc9cc5c8c76)cccc34)n2)cc1
InChIInChI=1S/C47H28N4/c1-3-14-29(15-4-1)45-48-46(30-16-5-2-6-17-30)50-47(49-45)38-25-11-23-35-33(38)22-12-26-39(35)51-40-27-13-24-37-34-20-9-10-21-36(34)42-32-19-8-7-18-31(32)28-41(51)44(42)43(37)40/h1-28H
InChIKeySEIABEFKNVUEDI-UHFFFAOYSA-N
XLogP12.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene with MolForge

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Related Compounds

23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.02,7.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171044311
23-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene
CID 163509617
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-phenyl-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaene
CID 171043951
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477254
9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 170109697
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-azahexacyclo[16.3.2.02,7.09,21.011,20.014,19]tricosa-1(21),2,4,6,8,11(20),12,14(19),15,17,22-undecaene
CID 167285160
14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158953256
7-[2-(4-chrysen-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 170109239
16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654237
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 167031894

Frequently Asked Questions

What is the IUPAC name of 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The IUPAC name of 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene (CID 162733500) is 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene.
What is the SMILES notation for 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The canonical SMILES for 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-n5c6cccc7c8ccccc8c8c9ccccc9cc5c8c76)cccc34)n2)cc1.
What is the InChIKey of 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
The InChIKey is SEIABEFKNVUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-3-14-29(15-4-1)45-48-46(30-16-5-2-6-17-30)50-47(49-45)38-25-11-23-35-33(38)22-12-26-39(35)51-40-27-13-24-37-34-20-9-10-21-36(34)42-32-19-8-7-18-31(32)28-41(51)44(42)43(37)40/h1-28H.
What are the key properties of 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene?
23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene has a molecular weight of 648.77 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-azahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9(22),10,12,14,16(21),17,19-undecaene is sourced from PubChem (CID 162733500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).