12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole

C36H24N2 — CID 169297799

IUPAC12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)35(26)38-33-21-10-8-17-29(33)31-23-22-30-28-16-7-9-20-32(28)37-34(30)36(31)38/h1-23,37H/i1D,3D,4D,12D,13D
InChIKeyOXKUIZHJUMRFAE-ZILYGSRPSA-N
MW489.63 g/mol
LogP9.75
Rot. Bonds3

About 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole

12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole (PubChem CID 169297799) has the molecular formula C36H24N2 and a molecular weight of 489.63 g/mol. Its IUPAC name is 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole
PubChem CID169297799
Molecular FormulaC36H24N2
Molecular Weight489.63 g/mol
Exact Mass489.23
IUPAC Name12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)35(26)38-33-21-10-8-17-29(33)31-23-22-30-28-16-7-9-20-32(28)37-34(30)36(31)38/h1-23,37H/i1D,3D,4D,12D,13D
InChIKeyOXKUIZHJUMRFAE-ZILYGSRPSA-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 ≤ 500489.63
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174154038
CID 174154038
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
5-(2,3,4,5,6-pentadeuteriophenyl)-12H-indolo[3,2-c]carbazole
CID 142619140
2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 122433826
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 162424962
9-(4-phenylphenyl)-2-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-9-yl]carbazole
CID 171458084
12-(2-phenylphenyl)-5-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]indolo[3,2-c]carbazole
CID 172515275
12-[4-(4-carbazol-9-yl-2-phenylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 123785802
15-(2-phenylphenyl)-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965447
26-phenyl-13,24-diaza-1-boranonacyclo[15.13.2.12,6.07,12.014,31.018,23.024,32.025,30.013,33]tritriaconta-2(33),3,5,7,9,11,14(31),15,17(32),18,20,22,25(30),26,28-pentadecaene
CID 177271722

Frequently Asked Questions

What is the IUPAC name of 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole?
The IUPAC name of 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole (CID 169297799) is 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole?
The canonical SMILES for 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)c([2H])c1[2H].
What is the InChIKey of 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole?
The InChIKey is OXKUIZHJUMRFAE-ZILYGSRPSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-12-24(13-4-1)26-18-11-19-27(25-14-5-2-6-15-25)35(26)38-33-21-10-8-17-29(33)31-23-22-30-28-16-7-9-20-32(28)37-34(30)36(31)38/h1-23,37H/i1D,3D,4D,12D,13D.
What are the key properties of 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole?
12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole has a molecular weight of 489.63 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 12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole is sourced from PubChem (CID 169297799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).