1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole

C47H32N6 — CID 170941018

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2Cc1ccccc1Cc1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C47H32N6/c1-2-16-32(30-51-39-23-9-3-17-33(39)34-18-4-10-24-40(34)51)31(15-1)29-45-48-46(52-41-25-11-5-19-35(41)36-20-6-12-26-42(36)52)50-47(49-45)53-43-27-13-7-21-37(43)38-22-8-14-28-44(38)53/h1-28H,29-30H2/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D
InChIKeyBEGFWNVFLKFVRM-VGCUIBERSA-N
MW704.96 g/mol
LogP10.81
Rot. Bonds6

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 170941018) has the molecular formula C47H32N6 and a molecular weight of 704.96 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID170941018
Molecular FormulaC47H32N6
Molecular Weight704.96 g/mol
Exact Mass704.42
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2Cc1ccccc1Cc1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C47H32N6/c1-2-16-32(30-51-39-23-9-3-17-33(39)34-18-4-10-24-40(34)51)31(15-1)29-45-48-46(52-41-25-11-5-19-35(41)36-20-6-12-26-42(36)52)50-47(49-45)53-43-27-13-7-21-37(43)38-22-8-14-28-44(38)53/h1-28H,29-30H2/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D
InChIKeyBEGFWNVFLKFVRM-VGCUIBERSA-N
XLogP10.81
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268201
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965
20-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,5,6,9,10,11,12,15,16,17,18,22,23,24,25-hexadecadeuterio-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 177285032
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-phenyl-5-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267955
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267779
9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 168832490
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268215
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578315
9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267896
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267775

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole (CID 170941018) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2Cc1ccccc1Cc1nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is BEGFWNVFLKFVRM-VGCUIBERSA-N. The full InChI is InChI=1S/C47H32N6/c1-2-16-32(30-51-39-23-9-3-17-33(39)34-18-4-10-24-40(34)51)31(15-1)29-45-48-46(52-41-25-11-5-19-35(41)36-20-6-12-26-42(36)52)50-47(49-45)53-43-27-13-7-21-37(43)38-22-8-14-28-44(38)53/h1-28H,29-30H2/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 704.96 g/mol, XLogP of 10.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[[2-[(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)methyl]phenyl]methyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170941018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).