2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine

C45H31N3O — CID 167403162

IUPAC2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESC1=Cc2ccc(-c3ccc4oc5cc(C6=NC(c7ccc8ccccc8c7)N=C(c7ccc8ccccc8c7)N6)ccc5c4c3)cc2CC1
InChIInChI=1S/C45H31N3O/c1-4-10-31-23-34(16-13-28(31)7-1)35-20-22-41-40(26-35)39-21-19-38(27-42(39)49-41)45-47-43(36-17-14-29-8-2-5-11-32(29)24-36)46-44(48-45)37-18-15-30-9-3-6-12-33(30)25-37/h1-3,5-9,11-27,43H,4,10H2,(H,46,47,48)
InChIKeyCMHQZTBQBRKHJA-UHFFFAOYSA-N
MW629.76 g/mol
LogP11.01
Rot. Bonds4

About 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine

2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine (PubChem CID 167403162) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
PubChem CID167403162
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
SMILESC1=Cc2ccc(-c3ccc4oc5cc(C6=NC(c7ccc8ccccc8c7)N=C(c7ccc8ccccc8c7)N6)ccc5c4c3)cc2CC1
InChIInChI=1S/C45H31N3O/c1-4-10-31-23-34(16-13-28(31)7-1)35-20-22-41-40(26-35)39-21-19-38(27-42(39)49-41)45-47-43(36-17-14-29-8-2-5-11-32(29)24-36)46-44(48-45)37-18-15-30-9-3-6-12-33(30)25-37/h1-3,5-9,11-27,43H,4,10H2,(H,46,47,48)
InChIKeyCMHQZTBQBRKHJA-UHFFFAOYSA-N
XLogP11.01
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
CID 167403149
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
18-[4-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123927159
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608

Frequently Asked Questions

What is the IUPAC name of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine (CID 167403162) is 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine is C1=Cc2ccc(-c3ccc4oc5cc(C6=NC(c7ccc8ccccc8c7)N=C(c7ccc8ccccc8c7)N6)ccc5c4c3)cc2CC1.
What is the InChIKey of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
The InChIKey is CMHQZTBQBRKHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-4-10-31-23-34(16-13-28(31)7-1)35-20-22-41-40(26-35)39-21-19-38(27-42(39)49-41)45-47-43(36-17-14-29-8-2-5-11-32(29)24-36)46-44(48-45)37-18-15-30-9-3-6-12-33(30)25-37/h1-3,5-9,11-27,43H,4,10H2,(H,46,47,48).
What are the key properties of 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine?
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 11.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167403162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).