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

C51H30N4O2 — CID 164933020

IUPAC1,2,3,4,6,8,9,10,12-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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c([2H])c8c(oc9c([2H])c([2H])c([2H])c([2H])c98)c([2H])c76)n5)ccc4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-12-23-41-47(35)40-29-39-37-20-10-11-24-43(37)56-46(39)30-42(40)55(41)51-53-49(33-18-8-3-9-19-33)52-50(54-51)34-26-27-38-45(28-34)57-44-25-13-22-36(48(38)44)32-16-6-2-7-17-32/h1-30H/i2D,6D,7D,10D,11D,12D,16D,17D,20D,21D,23D,24D,29D,30D
InChIKeyRWAOTFZZFZDLLD-BBNNGNHCSA-N
MW744.91 g/mol
LogP13.44
Rot. Bonds5

About 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

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 (PubChem CID 164933020) has the molecular formula C51H30N4O2 and a molecular weight of 744.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,4,6,8,9,10,12-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
PubChem CID164933020
Molecular FormulaC51H30N4O2
Molecular Weight744.91 g/mol
Exact Mass744.32
IUPAC Name1,2,3,4,6,8,9,10,12-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
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c([2H])c8c(oc9c([2H])c([2H])c([2H])c([2H])c98)c([2H])c76)n5)ccc4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-12-23-41-47(35)40-29-39-37-20-10-11-24-43(37)56-46(39)30-42(40)55(41)51-53-49(33-18-8-3-9-19-33)52-50(54-51)34-26-27-38-45(28-34)57-44-25-13-22-36(48(38)44)32-16-6-2-7-17-32/h1-30H/i2D,6D,7D,10D,11D,12D,16D,17D,20D,21D,23D,24D,29D,30D
InChIKeyRWAOTFZZFZDLLD-BBNNGNHCSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.91
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164798089
2-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 168769768
1,2,3,4,6,8,9,10,11,12-decadeuterio-7-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164933061
2,4-bis(4-phenylphenyl)-6-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797899
1,2,3,4,7,8,9,10,12-nonadeuterio-11-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 164932709
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
7-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932811
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c([2H])c8c(oc9c([2H])c([2H])c([2H])c([2H])c98)c([2H])c76)n5)ccc4c23)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is RWAOTFZZFZDLLD-BBNNGNHCSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-12-23-41-47(35)40-29-39-37-20-10-11-24-43(37)56-46(39)30-42(40)55(41)51-53-49(33-18-8-3-9-19-33)52-50(54-51)34-26-27-38-45(28-34)57-44-25-13-22-36(48(38)44)32-16-6-2-7-17-32/h1-30H/i2D,6D,7D,10D,11D,12D,16D,17D,20D,21D,23D,24D,29D,30D.
What are the key properties of 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?
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 has a molecular weight of 744.91 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,8,9,10,12-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 is sourced from PubChem (CID 164933020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).