1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole

C48H32N2 — CID 169046435

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1ccc(-c2cc([2H])ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccc([2H])cc5[2H])cc4)c([2H])c([2H])c32)cc1
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-45-21-11-8-18-40(45)42-31-36(25-29-47(42)49)37-26-30-48-43(32-37)41-19-9-12-22-46(41)50(48)44-20-10-7-17-39(44)35-15-5-2-6-16-35/h1-32H/i1D,2D,7D,8D,9D,11D,12D,13D,18D,19D,21D,22D,25D,26D,29D,30D,31D,32D
InChIKeyYNCCQDXVWLWCOV-AMMYVTKRSA-N
MW654.91 g/mol
LogP12.88
Rot. Bonds5

About 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole

1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole (PubChem CID 169046435) has the molecular formula C48H32N2 and a molecular weight of 654.91 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole
PubChem CID169046435
Molecular FormulaC48H32N2
Molecular Weight654.91 g/mol
Exact Mass654.37
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole
SMILES[2H]c1ccc(-c2cc([2H])ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccc([2H])cc5[2H])cc4)c([2H])c([2H])c32)cc1
InChIInChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-45-21-11-8-18-40(45)42-31-36(25-29-47(42)49)37-26-30-48-43(32-37)41-19-9-12-22-46(41)50(48)44-20-10-7-17-39(44)35-15-5-2-6-16-35/h1-32H/i1D,2D,7D,8D,9D,11D,12D,13D,18D,19D,21D,22D,25D,26D,29D,30D,31D,32D
InChIKeyYNCCQDXVWLWCOV-AMMYVTKRSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.91
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4-deuteriophenyl)phenyl]carbazol-3-yl]-9-[2,3,6,7,8,9-hexadeuterio-4-(2,4,6-trideuteriophenyl)dibenzofuran-1-yl]carbazole
CID 172512064
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
1,2,3,4,5,7,8-heptadeuterio-9-(2-phenylphenyl)-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011849
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172512108
1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
CID 177269997
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 177280548
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517752
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(6-deuterio-9-phenylcarbazol-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 167377811
1,2,3,4,5,7,8-heptadeuterio-6-(5,9-diphenylcarbazol-3-yl)-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169012054
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 172512104

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole (CID 169046435) is 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole is [2H]c1ccc(-c2cc([2H])ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccc([2H])cc5[2H])cc4)c([2H])c([2H])c32)cc1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is YNCCQDXVWLWCOV-AMMYVTKRSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-13-33(14-4-1)34-23-27-38(28-24-34)49-45-21-11-8-18-40(45)42-31-36(25-29-47(42)49)37-26-30-48-43(32-37)41-19-9-12-22-46(41)50(48)44-20-10-7-17-39(44)35-15-5-2-6-16-35/h1-32H/i1D,2D,7D,8D,9D,11D,12D,13D,18D,19D,21D,22D,25D,26D,29D,30D,31D,32D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole?
1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 654.91 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-9-[4-deuterio-2-(4-deuteriophenyl)phenyl]-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,4-dideuteriophenyl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 169046435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).