5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one

C56H34N4O2 — CID 90379871

About 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one

5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one (PubChem CID 90379871) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one.

Molecular Properties

• Compound Name: 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
• PubChem CID: 90379871
• Molecular Formula: C56H34N4O2
• Molecular Weight: 794.91 g/mol
• Exact Mass: 794.27
• IUPAC Name: 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
• SMILES: O=c1c2ccccc2c2ccccc2n1-c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C56H34N4O2/c61-55-45-19-3-1-13-39(45)41-15-5-11-23-51(41)59(55)37-29-25-35(26-30-37)57-49-21-9-7-17-43(49)47-34-54-48(33-53(47)57)44-18-8-10-22-50(44)58(54)36-27-31-38(32-28-36)60-52-24-12-6-16-42(52)40-14-2-4-20-46(40)56(60)62/h1-34H
• InChIKey: JWBDUYKTPKACDU-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 53.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.91
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one?

The IUPAC name of 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one (CID 90379871) is 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one.

What is the SMILES notation for 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one?

The canonical SMILES for 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one?

The InChIKey is JWBDUYKTPKACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c61-55-45-19-3-1-13-39(45)41-15-5-11-23-51(41)59(55)37-29-25-35(26-30-37)57-49-21-9-7-17-43(49)47-34-54-48(33-53(47)57)44-18-8-10-22-50(44)58(54)36-27-31-38(32-28-36)60-52-24-12-6-16-42(52)40-14-2-4-20-46(40)56(60)62/h1-34H.

What are the key properties of 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one?

5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one has a molecular weight of 794.91 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 90379871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).