9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole

C45H28N4O — CID 168770491

IUPAC9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-33-20-10-11-24-38(33)49(40(34)28-32)39-25-13-22-36-35-21-12-23-37(41(35)50-42(36)39)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i2D,6D,7D,16D,17D
InChIKeyPBRIZEVLCNRZJX-ROBRBGAESA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole

9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole (PubChem CID 168770491) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
PubChem CID168770491
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-33-20-10-11-24-38(33)49(40(34)28-32)39-25-13-22-36-35-21-12-23-37(41(35)50-42(36)39)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i2D,6D,7D,16D,17D
InChIKeyPBRIZEVLCNRZJX-ROBRBGAESA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168769745
9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 168769877
9-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168770543
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 162780284
3-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168770097
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzofuran-2-yl]carbazole
CID 162780675
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541
9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 168801624
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168769775
9-[6-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyldibenzofuran-2-yl]carbazole;9-[4-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenyldibenzofuran-2-yl]carbazole
CID 163708989

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole (CID 168770491) is 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole?
The InChIKey is PBRIZEVLCNRZJX-ROBRBGAESA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-34-33-20-10-11-24-38(33)49(40(34)28-32)39-25-13-22-36-35-21-12-23-37(41(35)50-42(36)39)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i2D,6D,7D,16D,17D.
What are the key properties of 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole?
9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole has a molecular weight of 645.78 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 168770491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).