2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine

C47H29N3O2 — CID 170011069

IUPAC2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC2C=Cc3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc(-c6ccccc6)cc6oc7ccccc7c56)n4)ccc3C2C=C1
InChIInChI=1S/C47H29N3O2/c1-2-10-28(11-3-1)33-26-39(44-37-15-7-9-17-41(37)52-43(44)27-33)47-49-45(31-20-22-35-30(24-31)19-18-29-12-4-5-13-34(29)35)48-46(50-47)32-21-23-42-38(25-32)36-14-6-8-16-40(36)51-42/h1-27,29,34H
InChIKeyKUWYQCJZWROTRV-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.19
Rot. Bonds4

About 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170011069) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170011069
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC2C=Cc3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc(-c6ccccc6)cc6oc7ccccc7c56)n4)ccc3C2C=C1
InChIInChI=1S/C47H29N3O2/c1-2-10-28(11-3-1)33-26-39(44-37-15-7-9-17-41(37)52-43(44)27-33)47-49-45(31-20-22-35-30(24-31)19-18-29-12-4-5-13-34(29)35)48-46(50-47)32-21-23-42-38(25-32)36-14-6-8-16-40(36)51-42/h1-27,29,34H
InChIKeyKUWYQCJZWROTRV-UHFFFAOYSA-N
XLogP12.19
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170127920
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-[3-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158453576
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-dibenzofuran-2-yl-4-(3-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 176617094
2-dibenzofuran-2-yl-4-phenyl-6-(3-phenyltriphenylen-1-yl)-1,3,5-triazine
CID 163651225
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247

Frequently Asked Questions

What is the IUPAC name of 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 170011069) is 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine is C1=CC2C=Cc3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)nc(-c5cc(-c6ccccc6)cc6oc7ccccc7c56)n4)ccc3C2C=C1.
What is the InChIKey of 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is KUWYQCJZWROTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-10-28(11-3-1)33-26-39(44-37-15-7-9-17-41(37)52-43(44)27-33)47-49-45(31-20-22-35-30(24-31)19-18-29-12-4-5-13-34(29)35)48-46(50-47)32-21-23-42-38(25-32)36-14-6-8-16-40(36)51-42/h1-27,29,34H.
What are the key properties of 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).