2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

C51H29N3O3 — CID 146431776

IUPAC2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)n4)c3)c2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-10-30(11-3-1)31-12-8-13-32(24-31)33-14-9-15-34(25-33)49-52-50(35-20-22-45-39(26-35)37-16-4-6-18-43(37)55-45)54-51(53-49)36-21-23-46-40(27-36)42-28-41-38-17-5-7-19-44(38)56-47(41)29-48(42)57-46/h1-29H
InChIKeyMQMKDVXLVCHORC-UHFFFAOYSA-N
MW731.81 g/mol
LogP13.90
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 146431776) has the molecular formula C51H29N3O3 and a molecular weight of 731.81 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID146431776
Molecular FormulaC51H29N3O3
Molecular Weight731.81 g/mol
Exact Mass731.22
IUPAC Name2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)n4)c3)c2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-10-30(11-3-1)31-12-8-13-32(24-31)33-14-9-15-34(25-33)49-52-50(35-20-22-45-39(26-35)37-16-4-6-18-43(37)55-45)54-51(53-49)36-21-23-46-40(27-36)42-28-41-38-17-5-7-19-44(38)56-47(41)29-48(42)57-46/h1-29H
InChIKeyMQMKDVXLVCHORC-UHFFFAOYSA-N
XLogP13.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.81
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 146431776) is 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)n4)c3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is MQMKDVXLVCHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3/c1-2-10-30(11-3-1)31-12-8-13-32(24-31)33-14-9-15-34(25-33)49-52-50(35-20-22-45-39(26-35)37-16-4-6-18-43(37)55-45)54-51(53-49)36-21-23-46-40(27-36)42-28-41-38-17-5-7-19-44(38)56-47(41)29-48(42)57-46/h1-29H.
What are the key properties of 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 731.81 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146431776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).