2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine

C49H29N3O — CID 139338002

IUPAC2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5oc6ccccc6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-14-31(15-3-1)47-50-48(52-49(51-47)35-26-25-30-13-4-5-16-32(30)27-35)34-18-12-17-33(28-34)41-29-42-38-21-7-6-19-36(38)37-20-8-9-22-39(37)44(42)46-45(41)40-23-10-11-24-43(40)53-46/h1-29H
InChIKeyOLPVQBSWOZOSSV-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.05
Rot. Bonds4

About 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 139338002) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID139338002
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5oc6ccccc6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-14-31(15-3-1)47-50-48(52-49(51-47)35-26-25-30-13-4-5-16-32(30)27-35)34-18-12-17-33(28-34)41-29-42-38-21-7-6-19-36(38)37-20-8-9-22-39(37)44(42)46-45(41)40-23-10-11-24-43(40)53-46/h1-29H
InChIKeyOLPVQBSWOZOSSV-UHFFFAOYSA-N
XLogP13.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139337904
2-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 139338040
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 176853576
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-naphthalen-2-yl-4-[4-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(7-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163770991
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
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-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 139338002) is 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5oc6ccccc6c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is OLPVQBSWOZOSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-14-31(15-3-1)47-50-48(52-49(51-47)35-26-25-30-13-4-5-16-32(30)27-35)34-18-12-17-33(28-34)41-29-42-38-21-7-6-19-36(38)37-20-8-9-22-39(37)44(42)46-45(41)40-23-10-11-24-43(40)53-46/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 675.79 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[3-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(25),2,4,6,8,10,12,14,17,19,21,23-dodecaen-24-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 139338002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).