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

C54H34N4 — CID 170268295

IUPAC11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)ccc54)cccc32)cc1
InChIInChI=1S/C54H34N4/c1-3-16-35(17-4-1)55-48-27-14-10-23-43(48)52-50(55)28-15-29-51(52)58-47-26-13-9-22-40(47)44-34-37(30-33-49(44)58)57-46-25-12-8-21-39(46)42-32-31-41-38-20-7-11-24-45(38)56(53(41)54(42)57)36-18-5-2-6-19-36/h1-34H
InChIKeyVTSVCUXSYLBDFR-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.07
Rot. Bonds4

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

11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole (PubChem CID 170268295) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
PubChem CID170268295
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)ccc54)cccc32)cc1
InChIInChI=1S/C54H34N4/c1-3-16-35(17-4-1)55-48-27-14-10-23-43(48)52-50(55)28-15-29-51(52)58-47-26-13-9-22-40(47)44-34-37(30-33-49(44)58)57-46-25-12-8-21-39(46)42-32-31-41-38-20-7-11-24-45(38)56(53(41)54(42)57)36-18-5-2-6-19-36/h1-34H
InChIKeyVTSVCUXSYLBDFR-UHFFFAOYSA-N
XLogP14.07
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
5-(9-naphthalen-2-ylcarbazol-4-yl)-12-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 165021173
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole (CID 170268295) is 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)ccc54)cccc32)cc1.
What is the InChIKey of 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole?
The InChIKey is VTSVCUXSYLBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-16-35(17-4-1)55-48-27-14-10-23-43(48)52-50(55)28-15-29-51(52)58-47-26-13-9-22-40(47)44-34-37(30-33-49(44)58)57-46-25-12-8-21-39(46)42-32-31-41-38-20-7-11-24-45(38)56(53(41)54(42)57)36-18-5-2-6-19-36/h1-34H.
What are the key properties of 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole?
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole has a molecular weight of 738.89 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170268295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).