1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C45H30N4 — CID 177275500

IUPAC1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H30N4/c1-5-15-31(16-6-1)36-27-37(32-17-7-2-8-18-32)29-38(28-36)35-25-26-40-39-23-13-14-24-41(39)49(42(40)30-35)45-47-43(33-19-9-3-10-20-33)46-44(48-45)34-21-11-4-12-22-34/h1-30H/i13D,14D,23D,24D
InChIKeyIPSBBJLCLMNAOF-KFLHRNFPSA-N
MW630.79 g/mol
LogP11.30
Rot. Bonds6

About 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 177275500) has the molecular formula C45H30N4 and a molecular weight of 630.79 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID177275500
Molecular FormulaC45H30N4
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H30N4/c1-5-15-31(16-6-1)36-27-37(32-17-7-2-8-18-32)29-38(28-36)35-25-26-40-39-23-13-14-24-41(39)49(42(40)30-35)45-47-43(33-19-9-3-10-20-33)46-44(48-45)34-21-11-4-12-22-34/h1-30H/i13D,14D,23D,24D
InChIKeyIPSBBJLCLMNAOF-KFLHRNFPSA-N
XLogP11.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
1,2,3,4-tetradeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177113402
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
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
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-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171461508
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113419
1,2,3,4,5,6,7,8-octadeuterio-9-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170536800
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
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170658973
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087301

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 177275500) is 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is IPSBBJLCLMNAOF-KFLHRNFPSA-N. The full InChI is InChI=1S/C45H30N4/c1-5-15-31(16-6-1)36-27-37(32-17-7-2-8-18-32)29-38(28-36)35-25-26-40-39-23-13-14-24-41(39)49(42(40)30-35)45-47-43(33-19-9-3-10-20-33)46-44(48-45)34-21-11-4-12-22-34/h1-30H/i13D,14D,23D,24D.
What are the key properties of 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 630.79 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 177275500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).