9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole

C45H30N4O — CID 166961353

IUPAC9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,45H,(H,46,47,48)
InChIKeyLVDYIKRIIDMCHX-UHFFFAOYSA-N
MW642.76 g/mol
LogP10.85
Rot. Bonds5

About 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole

9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole (PubChem CID 166961353) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
PubChem CID166961353
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C45H30N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,45H,(H,46,47,48)
InChIKeyLVDYIKRIIDMCHX-UHFFFAOYSA-N
XLogP10.85
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
CID 174276647
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
9-[6-(2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 163568836
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165165809
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522

Frequently Asked Questions

What is the IUPAC name of 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole (CID 166961353) is 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole is c1ccc(C2=NC(c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc34)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
The InChIKey is LVDYIKRIIDMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28,45H,(H,46,47,48).
What are the key properties of 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole?
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole has a molecular weight of 642.76 g/mol, XLogP of 10.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 166961353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).