2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine

C50H31N3O — CID 162487428

IUPAC2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccc7ccccc7c65)ccc34)n2)cc1
InChIInChI=1S/C50H31N3O/c1-4-15-33(16-5-1)47-51-48(34-17-6-2-7-18-34)53-49(52-47)35-25-27-40-41-29-26-37(31-45(41)54-44(40)30-35)50(36-19-8-3-9-20-36)43-23-13-12-22-39(43)42-28-24-32-14-10-11-21-38(32)46(42)50/h1-31H
InChIKeyKBCOUDXJPLZMBO-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.29
Rot. Bonds5

About 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 162487428) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID162487428
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccc7ccccc7c65)ccc34)n2)cc1
InChIInChI=1S/C50H31N3O/c1-4-15-33(16-5-1)47-51-48(34-17-6-2-7-18-34)53-49(52-47)35-25-27-40-41-29-26-37(31-45(41)54-44(40)30-35)50(36-19-8-3-9-20-36)43-23-13-12-22-39(43)42-28-24-32-14-10-11-21-38(32)46(42)50/h1-31H
InChIKeyKBCOUDXJPLZMBO-UHFFFAOYSA-N
XLogP12.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163602172
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2,4-diphenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487274
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine (CID 162487428) is 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(C5(c6ccccc6)c6ccccc6-c6ccc7ccccc7c65)ccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is KBCOUDXJPLZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-4-15-33(16-5-1)47-51-48(34-17-6-2-7-18-34)53-49(52-47)35-25-27-40-41-29-26-37(31-45(41)54-44(40)30-35)50(36-19-8-3-9-20-36)43-23-13-12-22-39(43)42-28-24-32-14-10-11-21-38(32)46(42)50/h1-31H.
What are the key properties of 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 689.82 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 162487428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).