1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole

C36H24N2 — CID 177280481

IUPAC1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccccc5)cc4)c([2H])c32)c1[2H]
InChIInChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-17-20-27(21-18-25)38-34-15-7-5-12-30(34)36-28(13-8-16-35(36)38)26-19-22-33-31(23-26)29-11-4-6-14-32(29)37-33/h1-23,37H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,22D,23D
InChIKeyKNAHKCMCZFAUNJ-GUSHEHNTSA-N
MW498.69 g/mol
LogP9.75
Rot. Bonds3

About 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole

1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 177280481) has the molecular formula C36H24N2 and a molecular weight of 498.69 g/mol. Its IUPAC name is 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID177280481
Molecular FormulaC36H24N2
Molecular Weight498.69 g/mol
Exact Mass498.28
IUPAC Name1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccccc5)cc4)c([2H])c32)c1[2H]
InChIInChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-17-20-27(21-18-25)38-34-15-7-5-12-30(34)36-28(13-8-16-35(36)38)26-19-22-33-31(23-26)29-11-4-6-14-32(29)37-33/h1-23,37H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,22D,23D
InChIKeyKNAHKCMCZFAUNJ-GUSHEHNTSA-N
XLogP9.75
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.69
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,5,6,7,8-heptadeuterio-9-phenylcarbazol-4-yl)-9-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)carbazole
CID 177280538
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,5,6,7,8-heptadeuterio-9-(3-phenylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole
CID 177280490
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
4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177270012
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
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,6,7,8-hexadeuterio-5,9-diphenylcarbazol-3-yl)carbazol-9-yl]-9-phenylcarbazole
CID 167377834
1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011858
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)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 171414543
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-[1,2,4,5,6,7,8-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
4,5,6,7,11,12,16,18,19-nonadeuterio-9-(4-phenylphenyl)-14-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)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 171414467
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171458617

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole (CID 177280481) is 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c([nH]c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c5c4c4c([2H])c([2H])c([2H])c([2H])c4n5-c4ccc(-c5ccccc5)cc4)c([2H])c32)c1[2H].
What is the InChIKey of 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is KNAHKCMCZFAUNJ-GUSHEHNTSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-9-24(10-3-1)25-17-20-27(21-18-25)38-34-15-7-5-12-30(34)36-28(13-8-16-35(36)38)26-19-22-33-31(23-26)29-11-4-6-14-32(29)37-33/h1-23,37H/i4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,22D,23D.
What are the key properties of 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole?
1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 498.69 g/mol, XLogP of 9.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 177280481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).