2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C41H23N3O2 — CID 149219825

IUPAC2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4c5ccc5c6ccccc6oc54)n3)ccc2c1
InChIInChI=1S/C41H23N3O2/c1-3-10-26-22-28(18-16-24(26)8-1)39-42-40(29-19-17-25-9-2-4-11-27(25)23-29)44-41(43-39)34-14-7-13-31-33-21-20-32-30-12-5-6-15-35(30)45-37(32)38(33)46-36(31)34/h1-23H
InChIKeyXIFLFOVESFMVFT-UHFFFAOYSA-N
MW589.65 g/mol
LogP10.98
Rot. Bonds3

About 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 149219825) has the molecular formula C41H23N3O2 and a molecular weight of 589.65 g/mol. Its IUPAC name is 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID149219825
Molecular FormulaC41H23N3O2
Molecular Weight589.65 g/mol
Exact Mass589.18
IUPAC Name2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4c5ccc5c6ccccc6oc54)n3)ccc2c1
InChIInChI=1S/C41H23N3O2/c1-3-10-26-22-28(18-16-24(26)8-1)39-42-40(29-19-17-25-9-2-4-11-27(25)23-29)44-41(43-39)34-14-7-13-31-33-21-20-32-30-12-5-6-15-35(30)45-37(32)38(33)46-36(31)34/h1-23H
InChIKeyXIFLFOVESFMVFT-UHFFFAOYSA-N
XLogP10.98
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 176646982
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146631342

Frequently Asked Questions

What is the IUPAC name of 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 149219825) is 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4oc4c5ccc5c6ccccc6oc54)n3)ccc2c1.
What is the InChIKey of 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is XIFLFOVESFMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3O2/c1-3-10-26-22-28(18-16-24(26)8-1)39-42-40(29-19-17-25-9-2-4-11-27(25)23-29)44-41(43-39)34-14-7-13-31-33-21-20-32-30-12-5-6-15-35(30)45-37(32)38(33)46-36(31)34/h1-23H.
What are the key properties of 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 589.65 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 149219825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).