1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole

C18H13N — CID 164843391

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
SMILES[2H]c1cc([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/i4D,6D,7D,10D,11D,12D,13D
InChIKeyVIJYEGDOKCKUOL-YWFSODIYSA-N
MW250.35 g/mol
LogP4.78
Rot. Bonds1

About 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole

1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole (PubChem CID 164843391) has the molecular formula C18H13N and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
PubChem CID164843391
Molecular FormulaC18H13N
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
SMILES[2H]c1cc([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/i4D,6D,7D,10D,11D,12D,13D
InChIKeyVIJYEGDOKCKUOL-YWFSODIYSA-N
XLogP4.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-6-methyl-9-phenylcarbazole
CID 171461467
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
7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651797
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
CID 177280472
1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 169059391
1,2,3,4,5,6,8-heptadeuterio-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 177280461
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 166047028
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[1,2,4,5,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-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 167577345

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole (CID 164843391) is 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole is [2H]c1cc([2H])c2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3ccccc3)c2c1[2H].
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole?
The InChIKey is VIJYEGDOKCKUOL-YWFSODIYSA-N. The full InChI is InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H/i4D,6D,7D,10D,11D,12D,13D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole?
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole has a molecular weight of 250.35 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole is sourced from PubChem (CID 164843391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).