2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C47H27N3O — CID 166846454

IUPAC2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c6cccc7c6c(cc54)-c4ccccc4-7)c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3O/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)38-26-25-34(30-17-7-9-19-32(30)38)36-22-12-23-37-41-27-40-33-20-10-8-18-31(33)35-21-11-24-39(42(35)40)44(41)51-43(36)37/h1-27H
InChIKeyZQEALBXAAFYEMC-UHFFFAOYSA-N
MW649.75 g/mol
LogP12.39
Rot. Bonds4

About 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 166846454) has the molecular formula C47H27N3O and a molecular weight of 649.75 g/mol. Its IUPAC name is 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID166846454
Molecular FormulaC47H27N3O
Molecular Weight649.75 g/mol
Exact Mass649.22
IUPAC Name2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c6cccc7c6c(cc54)-c4ccccc4-7)c4ccccc34)n2)cc1
InChIInChI=1S/C47H27N3O/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)38-26-25-34(30-17-7-9-19-32(30)38)36-22-12-23-37-41-27-40-33-20-10-8-18-31(33)35-21-11-24-39(42(35)40)44(41)51-43(36)37/h1-27H
InChIKeyZQEALBXAAFYEMC-UHFFFAOYSA-N
XLogP12.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.75
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164834753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 166846454) is 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c6cccc7c6c(cc54)-c4ccccc4-7)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZQEALBXAAFYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O/c1-3-13-28(14-4-1)45-48-46(29-15-5-2-6-16-29)50-47(49-45)38-26-25-34(30-17-7-9-19-32(30)38)36-22-12-23-37-41-27-40-33-20-10-8-18-31(33)35-21-11-24-39(42(35)40)44(41)51-43(36)37/h1-27H.
What are the key properties of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 649.75 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166846454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).