5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole

C52H33N3 — CID 134168763

About 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole

5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 134168763) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 134168763
• Molecular Formula: C52H33N3
• Molecular Weight: 699.86 g/mol
• Exact Mass: 699.27
• IUPAC Name: 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7cccc8ccccc78)c65)cc4)ccc32)cc1
• InChI: InChI=1S/C52H33N3/c1-2-15-37(16-3-1)53-46-21-9-7-19-41(46)44-33-36(27-31-49(44)53)34-25-28-38(29-26-34)54-47-22-10-6-18-40(47)42-30-32-50-51(52(42)54)43-20-8-11-23-48(43)55(50)45-24-12-14-35-13-4-5-17-39(35)45/h1-33H
• InChIKey: COOAFQOSKSMJAF-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.86
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole (CID 134168763) is 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7cccc8ccccc78)c65)cc4)ccc32)cc1.

What is the InChIKey of 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is COOAFQOSKSMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-2-15-37(16-3-1)53-46-21-9-7-19-41(46)44-33-36(27-31-49(44)53)34-25-28-38(29-26-34)54-47-22-10-6-18-40(47)42-30-32-50-51(52(42)54)43-20-8-11-23-48(43)55(50)45-24-12-14-35-13-4-5-17-39(35)45/h1-33H.

What are the key properties of 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole?

5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 134168763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).