2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C43H25N3O — CID 155429636

IUPAC2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4cccc6oc7cccc-5c7c46)c3)n2)cc1
InChIInChI=1S/C43H25N3O/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)29-16-7-15-28(25-29)30-23-24-35-34-20-10-22-37-40(34)39-33(19-9-21-36(39)47-37)32-18-8-17-31(30)38(32)35/h1-25H
InChIKeyRVZAYSCFAWZUAJ-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.24
Rot. Bonds4

About 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155429636) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155429636
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4cccc6oc7cccc-5c7c46)c3)n2)cc1
InChIInChI=1S/C43H25N3O/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)29-16-7-15-28(25-29)30-23-24-35-34-20-10-22-37-40(34)39-33(19-9-21-36(39)47-37)32-18-8-17-31(30)38(32)35/h1-25H
InChIKeyRVZAYSCFAWZUAJ-UHFFFAOYSA-N
XLogP11.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(12-dibenzofuran-1-ylchrysen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171731269
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681
2-(7-fluoranthen-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741022
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501

Frequently Asked Questions

What is the IUPAC name of 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155429636) is 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4cccc6oc7cccc-5c7c46)c3)n2)cc1.
What is the InChIKey of 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RVZAYSCFAWZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c1-3-11-26(12-4-1)41-44-42(27-13-5-2-6-14-27)46-43(45-41)29-16-7-15-28(25-29)30-23-24-35-34-20-10-22-37-40(34)39-33(19-9-21-36(39)47-37)32-18-8-17-31(30)38(32)35/h1-25H.
What are the key properties of 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 599.69 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155429636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).