2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine

C49H29N3OS — CID 139384489

IUPAC2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc6ccccc6cc45)n3)cc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-12-30(13-4-1)35-24-36(38-19-11-20-41-40-18-9-10-21-45(40)54-46(38)41)26-37(25-35)49-51-47(31-14-5-2-6-15-31)50-48(52-49)34-22-23-39-42-27-32-16-7-8-17-33(32)28-44(42)53-43(39)29-34/h1-29H
InChIKeySHHXXGDIBLVBJI-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.63
Rot. Bonds5

About 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine

2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 139384489) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
PubChem CID139384489
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc6ccccc6cc45)n3)cc(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-12-30(13-4-1)35-24-36(38-19-11-20-41-40-18-9-10-21-45(40)54-46(38)41)26-37(25-35)49-51-47(31-14-5-2-6-15-31)50-48(52-49)34-22-23-39-42-27-32-16-7-8-17-33(32)28-44(42)53-43(39)29-34/h1-29H
InChIKeySHHXXGDIBLVBJI-UHFFFAOYSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176786080
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-[3-[7-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193079
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139404339
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzothiophen-4-yl-4-[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-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723669
2-dibenzothiophen-4-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-7-yl)-6-phenyl-1,3,5-triazine
CID 146431796

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine (CID 139384489) is 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc6ccccc6cc45)n3)cc(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is SHHXXGDIBLVBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-3-12-30(13-4-1)35-24-36(38-19-11-20-41-40-18-9-10-21-45(40)54-46(38)41)26-37(25-35)49-51-47(31-14-5-2-6-15-31)50-48(52-49)34-22-23-39-42-27-32-16-7-8-17-33(32)28-44(42)53-43(39)29-34/h1-29H.
What are the key properties of 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine?
2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 707.86 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-4-yl-5-phenylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 139384489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).