1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C19H15N — CID 172513528

IUPAC1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c(C)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C19H15N/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h2-13H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
InChIKeyDRRDDIZEMVIUAD-YCGYNNMISA-N
MW269.41 g/mol
LogP5.09
Rot. Bonds1

About 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 172513528) has the molecular formula C19H15N and a molecular weight of 269.41 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID172513528
Molecular FormulaC19H15N
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c(C)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C19H15N/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h2-13H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
InChIKeyDRRDDIZEMVIUAD-YCGYNNMISA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164979337
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 165107709
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
CID 164979806
1,2,3,4,5,7,8-heptadeuterio-6-methyl-9-phenylcarbazole
CID 171461467
1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 172524274
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,6,8,9-hexadeuterio-7-methyldibenzothiophen-2-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164996041
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
CID 170659893
1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2-[2-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,7,8-heptadeuterio-6-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 165011570
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-[2,3,4,6-tetradeuterio-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-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 167577346
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(1,3,4,5,6,7,8,9,10,11,12-undecadeuteriotriphenylen-2-yl)carbazole
CID 168748524
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,4,6-tetradeuterio-5-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165035542
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-14-[2,3,4,6-tetradeuterio-5-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]phenyl]-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 165061296

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 172513528) is 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c(C)c([2H])c32)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is DRRDDIZEMVIUAD-YCGYNNMISA-N. The full InChI is InChI=1S/C19H15N/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15/h2-13H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 269.41 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 172513528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).