12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole

C78H50N6 — CID 123926363

About 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole

12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 123926363) has the molecular formula C78H50N6 and a molecular weight of 1071.30 g/mol. Its IUPAC name is 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 123926363
• Molecular Formula: C78H50N6
• Molecular Weight: 1071.30 g/mol
• Exact Mass: 1070.41
• IUPAC Name: 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
• SMILES: C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)C2C=C1
• InChI: InChI=1S/C78H50N6/c1-4-22-49(23-5-1)82-64-34-16-10-28-55(64)58-40-43-70-73(76(58)82)61-31-13-19-37-67(61)79(70)52-46-53(80-68-38-20-14-32-62(68)74-71(80)44-41-59-56-29-11-17-35-65(56)83(77(59)74)50-24-6-2-7-25-50)48-54(47-52)81-69-39-21-15-33-63(69)75-72(81)45-42-60-57-30-12-18-36-66(57)84(78(60)75)51-26-8-3-9-27-51/h1-48,61,67H
• InChIKey: KRKNMANWVMURAA-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 27.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.30
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (CID 123926363) is 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)C2C=C1.

What is the InChIKey of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is KRKNMANWVMURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N6/c1-4-22-49(23-5-1)82-64-34-16-10-28-55(64)58-40-43-70-73(76(58)82)61-31-13-19-37-67(61)79(70)52-46-53(80-68-38-20-14-32-62(68)74-71(80)44-41-59-56-29-11-17-35-65(56)83(77(59)74)50-24-6-2-7-25-50)48-54(47-52)81-69-39-21-15-33-63(69)75-72(81)45-42-60-57-30-12-18-36-66(57)84(78(60)75)51-26-8-3-9-27-51/h1-48,61,67H.

What are the key properties of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?

12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 1071.30 g/mol, XLogP of 19.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 123926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).