13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C37H21N5 — CID 163529175

IUPAC13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(N3c4cccc5c6cccc7c8cccc3c8n(c45)c67)n2)cc1
InChIInChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-38-36(29-19-6-13-22-10-4-5-14-24(22)29)40-37(39-35)41-30-20-8-17-27-25-15-7-16-26-28-18-9-21-31(41)34(28)42(32(25)26)33(27)30/h1-21H
InChIKeyDRKYFNMOGPZNEF-UHFFFAOYSA-N
MW535.61 g/mol
LogP9.29
Rot. Bonds3

About 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 163529175) has the molecular formula C37H21N5 and a molecular weight of 535.61 g/mol. Its IUPAC name is 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID163529175
Molecular FormulaC37H21N5
Molecular Weight535.61 g/mol
Exact Mass535.18
IUPAC Name13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(N3c4cccc5c6cccc7c8cccc3c8n(c45)c67)n2)cc1
InChIInChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-38-36(29-19-6-13-22-10-4-5-14-24(22)29)40-37(39-35)41-30-20-8-17-27-25-15-7-16-26-28-18-9-21-31(41)34(28)42(32(25)26)33(27)30/h1-21H
InChIKeyDRKYFNMOGPZNEF-UHFFFAOYSA-N
XLogP9.29
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

13-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 163926666
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156561599
2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315433
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 139555597

Frequently Asked Questions

What is the IUPAC name of 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 163529175) is 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(-c2nc(-c3cccc4ccccc34)nc(N3c4cccc5c6cccc7c8cccc3c8n(c45)c67)n2)cc1.
What is the InChIKey of 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is DRKYFNMOGPZNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N5/c1-2-11-23(12-3-1)35-38-36(29-19-6-13-22-10-4-5-14-24(22)29)40-37(39-35)41-30-20-8-17-27-25-15-7-16-26-28-18-9-21-31(41)34(28)42(32(25)26)33(27)30/h1-21H.
What are the key properties of 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 535.61 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13-diazahexacyclo[10.7.1.02,7.03,18.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 163529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).