1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole

C45H26N4O2 — CID 164933098

IUPAC1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c5c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-39-42(30)33-23-22-29(24-40(33)51-39)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-36-19-9-7-16-31(36)34-26-41-35(25-37(34)49)32-17-8-10-20-38(32)50-41/h1-26H/i2D,5D,6D,7D,8D,9D,10D,14D,15D,16D,17D,19D,20D,25D,26D
InChIKeyFBZHFVLAUOVILA-ZOADINIDSA-N
MW669.82 g/mol
LogP11.77
Rot. Bonds4

About 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole

1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 164933098) has the molecular formula C45H26N4O2 and a molecular weight of 669.82 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID164933098
Molecular FormulaC45H26N4O2
Molecular Weight669.82 g/mol
Exact Mass669.30
IUPAC Name1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c5c([2H])c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-39-42(30)33-23-22-29(24-40(33)51-39)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-36-19-9-7-16-31(36)34-26-41-35(25-37(34)49)32-17-8-10-20-38(32)50-41/h1-26H/i2D,5D,6D,7D,8D,9D,10D,14D,15D,16D,17D,19D,20D,25D,26D
InChIKeyFBZHFVLAUOVILA-ZOADINIDSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.82
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

1,3,4,7,8,9,10,12-octadeuterio-11-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[3,2-b]carbazole
CID 164933091
1,2,3,4,6,8,9,10,12-nonadeuterio-7-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164933020
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
4,5,6,7,11,12,16,17,18,19-decadeuterio-14-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164932851
1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 172513397
1,2,3,4,6,7,8,9,10,11-decadeuterio-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164932946
1,2,3,4,5,6,8-heptadeuterio-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-3-yl)carbazole
CID 177129611
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 169018089
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 164932774

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 164933098) is 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c5c([2H])c43)n2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is FBZHFVLAUOVILA-ZOADINIDSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-39-42(30)33-23-22-29(24-40(33)51-39)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-36-19-9-7-16-31(36)34-26-41-35(25-37(34)49)32-17-8-10-20-38(32)50-41/h1-26H/i2D,5D,6D,7D,8D,9D,10D,14D,15D,16D,17D,19D,20D,25D,26D.
What are the key properties of 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole?
1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 669.82 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,12-decadeuterio-11-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 164933098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).