12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole

C48H30N4 — CID 170424202

IUPAC12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)cccc54)ccc32)cc1
InChIInChI=1S/C48H30N4/c1-2-13-30(14-3-1)50-40-20-9-6-17-34(40)38-29-31(25-28-43(38)50)51-42-22-11-7-18-37(42)46-44(51)23-12-24-45(46)52-41-21-10-5-16-33(41)36-27-26-35-32-15-4-8-19-39(32)49-47(35)48(36)52/h1-29,49H
InChIKeyMIJNVGYFRYFULF-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.61
Rot. Bonds3

About 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole

12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole (PubChem CID 170424202) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
PubChem CID170424202
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)cccc54)ccc32)cc1
InChIInChI=1S/C48H30N4/c1-2-13-30(14-3-1)50-40-20-9-6-17-34(40)38-29-31(25-28-43(38)50)51-42-22-11-7-18-37(42)46-44(51)23-12-24-45(46)52-41-21-10-5-16-33(41)36-27-26-35-32-15-4-8-19-39(32)49-47(35)48(36)52/h1-29,49H
InChIKeyMIJNVGYFRYFULF-UHFFFAOYSA-N
XLogP12.61
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
CID 158612011
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
CID 158679994
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039

Frequently Asked Questions

What is the IUPAC name of 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole?
The IUPAC name of 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole (CID 170424202) is 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole?
The canonical SMILES for 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)cccc54)ccc32)cc1.
What is the InChIKey of 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole?
The InChIKey is MIJNVGYFRYFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-30(14-3-1)50-40-20-9-6-17-34(40)38-29-31(25-28-43(38)50)51-42-22-11-7-18-37(42)46-44(51)23-12-24-45(46)52-41-21-10-5-16-33(41)36-27-26-35-32-15-4-8-19-39(32)49-47(35)48(36)52/h1-29,49H.
What are the key properties of 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole?
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole is sourced from PubChem (CID 170424202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).