1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C51H34N4 — CID 177275403

IUPAC1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-26-30-39(31-27-37)44-23-13-25-47-48(44)45-22-10-11-24-46(45)55(47)43-21-12-20-42(34-43)51-53-49(40-18-8-3-9-19-40)52-50(54-51)41-32-28-38(29-33-41)36-16-6-2-7-17-36/h1-34H/i10D,11D,22D,24D
InChIKeyYPDVJVDKTJLJOM-CNMGJCNESA-N
MW706.89 g/mol
LogP12.97
Rot. Bonds7

About 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177275403) has the molecular formula C51H34N4 and a molecular weight of 706.89 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177275403
Molecular FormulaC51H34N4
Molecular Weight706.89 g/mol
Exact Mass706.30
IUPAC Name1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-26-30-39(31-27-37)44-23-13-25-47-48(44)45-22-10-11-24-46(45)55(47)43-21-12-20-42(34-43)51-53-49(40-18-8-3-9-19-40)52-50(54-51)41-32-28-38(29-33-41)36-16-6-2-7-17-36/h1-34H/i10D,11D,22D,24D
InChIKeyYPDVJVDKTJLJOM-CNMGJCNESA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetradeuterio-5-(3-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275473
1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275603
1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole
CID 177275454
1,2,3,4-tetradeuterio-9-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113440
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
1,2,3,4-tetradeuterio-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113356
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
4,5,7,16,18,19-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168770618
1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275570
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
1,2,3,4-tetradeuterio-8-(3,5-diphenylphenyl)-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275370
1,2,3,4-tetradeuterio-8-(3,5-diphenylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 177275344

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177275403) is 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is YPDVJVDKTJLJOM-CNMGJCNESA-N. The full InChI is InChI=1S/C51H34N4/c1-4-14-35(15-5-1)37-26-30-39(31-27-37)44-23-13-25-47-48(44)45-22-10-11-24-46(45)55(47)43-21-12-20-42(34-43)51-53-49(40-18-8-3-9-19-40)52-50(54-51)41-32-28-38(29-33-41)36-16-6-2-7-17-36/h1-34H/i10D,11D,22D,24D.
What are the key properties of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 706.89 g/mol, XLogP of 12.97, 7 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-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177275403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).