5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole

C51H34F3N5 — CID 146393954

About 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole

5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 146393954) has the molecular formula C51H34F3N5 and a molecular weight of 773.86 g/mol. Its IUPAC name is 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole
• PubChem CID: 146393954
• Molecular Formula: C51H34F3N5
• Molecular Weight: 773.86 g/mol
• Exact Mass: 773.28
• IUPAC Name: 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole
• SMILES: Cc1cc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)ncc2-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C51H34F3N5/c1-29-24-30(26-31(25-29)51(52,53)54)38-27-46(59-42-19-11-5-13-33(42)35-21-23-44-48(50(35)59)37-15-7-9-17-40(37)57(44)3)55-28-45(38)58-41-18-10-4-12-32(41)34-20-22-43-47(49(34)58)36-14-6-8-16-39(36)56(43)2/h4-28H,1-3H3
• InChIKey: ONRGQPNUTCRLHE-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 32.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.86
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole (CID 146393954) is 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5C)c43)ncc2-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)cc(C(F)(F)F)c1.

What is the InChIKey of 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole?

The InChIKey is ONRGQPNUTCRLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34F3N5/c1-29-24-30(26-31(25-29)51(52,53)54)38-27-46(59-42-19-11-5-13-33(42)35-21-23-44-48(50(35)59)37-15-7-9-17-40(37)57(44)3)55-28-45(38)58-41-18-10-4-12-32(41)34-20-22-43-47(49(34)58)36-14-6-8-16-39(36)56(43)2/h4-28H,1-3H3.

What are the key properties of 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole?

5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole has a molecular weight of 773.86 g/mol, XLogP of 13.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-12-[5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 146393954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).