5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole

C70H44N4 — CID 88917509

About 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole

5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole (PubChem CID 88917509) has the molecular formula C70H44N4 and a molecular weight of 941.15 g/mol. Its IUPAC name is 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole
• PubChem CID: 88917509
• Molecular Formula: C70H44N4
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.36
• IUPAC Name: 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4cc(-c5ccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cc5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C70H44N4/c1-3-15-51(16-4-1)71-65-26-14-10-22-59(65)69-66(71)40-39-58-55-19-7-13-25-64(55)74(70(58)69)54-37-33-46(34-38-54)48-28-30-49-41-47(27-29-50(49)42-48)45-31-35-53(36-32-45)73-63-24-12-9-21-57(63)61-43-67-60(44-68(61)73)56-20-8-11-23-62(56)72(67)52-17-5-2-6-18-52/h1-44H
• InChIKey: IPYZXJWZKKVFGR-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.15
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole?

The IUPAC name of 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole (CID 88917509) is 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole?

The canonical SMILES for 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3ccc4cc(-c5ccc(-n6c7ccccc7c7ccc8c(c9ccccc9n8-c8ccccc8)c76)cc5)ccc4c3)cc2)cc1.

What is the InChIKey of 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole?

The InChIKey is IPYZXJWZKKVFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4/c1-3-15-51(16-4-1)71-65-26-14-10-22-59(65)69-66(71)40-39-58-55-19-7-13-25-64(55)74(70(58)69)54-37-33-46(34-38-54)48-28-30-49-41-47(27-29-50(49)42-48)45-31-35-53(36-32-45)73-63-24-12-9-21-57(63)61-43-67-60(44-68(61)73)56-20-8-11-23-62(56)72(67)52-17-5-2-6-18-52/h1-44H.

What are the key properties of 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole?

5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole has a molecular weight of 941.15 g/mol, XLogP of 18.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 88917509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).