5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole

C71H46F6N4 — CID 139553531

About 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole

5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 139553531) has the molecular formula C71H46F6N4 and a molecular weight of 1069.17 g/mol. Its IUPAC name is 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
• PubChem CID: 139553531
• Molecular Formula: C71H46F6N4
• Molecular Weight: 1069.17 g/mol
• Exact Mass: 1068.36
• IUPAC Name: 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
• SMILES: CC(C)c1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
• InChI: InChI=1S/C71H46F6N4/c1-42(2)63-68(80-57-25-13-9-21-49(57)51-37-39-61-64(66(51)80)53-23-11-15-27-59(53)78(61)47-17-5-3-6-18-47)55(43-29-33-45(34-30-43)70(72,73)74)41-56(44-31-35-46(36-32-44)71(75,76)77)69(63)81-58-26-14-10-22-50(58)52-38-40-62-65(67(52)81)54-24-12-16-28-60(54)79(62)48-19-7-4-8-20-48/h3-42H,1-2H3
• InChIKey: VDEDJOKAWWJORI-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.17
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole (CID 139553531) is 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole.

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

The canonical SMILES for 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole is CC(C)c1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.

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

The InChIKey is VDEDJOKAWWJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46F6N4/c1-42(2)63-68(80-57-25-13-9-21-49(57)51-37-39-61-64(66(51)80)53-23-11-15-27-59(53)78(61)47-17-5-3-6-18-47)55(43-29-33-45(34-30-43)70(72,73)74)41-56(44-31-35-46(36-32-44)71(75,76)77)69(63)81-58-26-14-10-22-50(58)52-38-40-62-65(67(52)81)54-24-12-16-28-60(54)79(62)48-19-7-4-8-20-48/h3-42H,1-2H3.

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

5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 1069.17 g/mol, XLogP of 20.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-12-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-propan-2-yl-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 139553531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).