5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile

C55H33N5 — CID 134598060

IUPAC5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
SMILESN#Cc1cccc2c3ccc4c(c5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc5n4-c4ccccc4)c3n(-c3ccccc3)c12
InChIInChI=1S/C55H33N5/c56-34-35-15-14-24-41-43-29-32-50-52(55(43)60(53(35)41)38-20-8-3-9-21-38)45-33-39(27-30-48(45)57(50)36-16-4-1-5-17-36)58-47-26-13-11-23-44(47)51-49(58)31-28-42-40-22-10-12-25-46(40)59(54(42)51)37-18-6-2-7-19-37/h1-33H
InChIKeyCPYQXPRHRLNZQB-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.95
Rot. Bonds4

About 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile

5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile (PubChem CID 134598060) has the molecular formula C55H33N5 and a molecular weight of 763.90 g/mol. Its IUPAC name is 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile.

Molecular Properties

Compound Name5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
PubChem CID134598060
Molecular FormulaC55H33N5
Molecular Weight763.90 g/mol
Exact Mass763.27
IUPAC Name5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
SMILESN#Cc1cccc2c3ccc4c(c5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc5n4-c4ccccc4)c3n(-c3ccccc3)c12
InChIInChI=1S/C55H33N5/c56-34-35-15-14-24-41-43-29-32-50-52(55(43)60(53(35)41)38-20-8-3-9-21-38)45-33-39(27-30-48(45)57(50)36-16-4-1-5-17-36)58-47-26-13-11-23-44(47)51-49(58)31-28-42-40-22-10-12-25-46(40)59(54(42)51)37-18-6-2-7-19-37/h1-33H
InChIKeyCPYQXPRHRLNZQB-UHFFFAOYSA-N
XLogP13.95
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

15-(3-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-8-carbonitrile
CID 146180213
24-(4-cyanophenyl)-6,15-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-8-carbonitrile
CID 146180185
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
6-(4-cyanophenyl)-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291

Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile?
The IUPAC name of 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile (CID 134598060) is 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile.
What is the SMILES notation for 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile?
The canonical SMILES for 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile is N#Cc1cccc2c3ccc4c(c5cc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)ccc5n4-c4ccccc4)c3n(-c3ccccc3)c12.
What is the InChIKey of 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile?
The InChIKey is CPYQXPRHRLNZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5/c56-34-35-15-14-24-41-43-29-32-50-52(55(43)60(53(35)41)38-20-8-3-9-21-38)45-33-39(27-30-48(45)57(50)36-16-4-1-5-17-36)58-47-26-13-11-23-44(47)51-49(58)31-28-42-40-22-10-12-25-46(40)59(54(42)51)37-18-6-2-7-19-37/h1-33H.
What are the key properties of 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile?
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile has a molecular weight of 763.90 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile is sourced from PubChem (CID 134598060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).