8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole

C26H17N — CID 177101052

IUPAC8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3ccc4cccc(-c5cccc6ccccc56)c4c32)c1[2H]
InChIInChI=1S/C26H17N/c1-2-10-19-17(7-1)8-5-12-20(19)21-13-6-9-18-15-16-24-26(25(18)21)22-11-3-4-14-23(22)27-24/h1-16,27H/i3D,4D,11D,14D
InChIKeyUXEOOBMDXWSKSS-ZOWNRMRASA-N
MW347.45 g/mol
LogP7.29
Rot. Bonds1

About 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole

8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole (PubChem CID 177101052) has the molecular formula C26H17N and a molecular weight of 347.45 g/mol. Its IUPAC name is 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole.

Molecular Properties

Compound Name8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole
PubChem CID177101052
Molecular FormulaC26H17N
Molecular Weight347.45 g/mol
Exact Mass347.16
IUPAC Name8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3ccc4cccc(-c5cccc6ccccc56)c4c32)c1[2H]
InChIInChI=1S/C26H17N/c1-2-10-19-17(7-1)8-5-12-20(19)21-13-6-9-18-15-16-24-26(25(18)21)22-11-3-4-14-23(22)27-24/h1-16,27H/i3D,4D,11D,14D
InChIKeyUXEOOBMDXWSKSS-ZOWNRMRASA-N
XLogP7.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.45
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175282704
CID 175282704
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9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
6-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene
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Frequently Asked Questions

What is the IUPAC name of 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole?
The IUPAC name of 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole (CID 177101052) is 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole.
What is the SMILES notation for 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole?
The canonical SMILES for 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole is [2H]c1c([2H])c([2H])c2c([nH]c3ccc4cccc(-c5cccc6ccccc56)c4c32)c1[2H].
What is the InChIKey of 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole?
The InChIKey is UXEOOBMDXWSKSS-ZOWNRMRASA-N. The full InChI is InChI=1S/C26H17N/c1-2-10-19-17(7-1)8-5-12-20(19)21-13-6-9-18-15-16-24-26(25(18)21)22-11-3-4-14-23(22)27-24/h1-16,27H/i3D,4D,11D,14D.
What are the key properties of 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole?
8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole has a molecular weight of 347.45 g/mol, XLogP of 7.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,11-tetradeuterio-1-naphthalen-1-yl-7H-benzo[c]carbazole is sourced from PubChem (CID 177101052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).