12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine

C188H112N6O4 — CID 161471889

About 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine

12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine (PubChem CID 161471889) has the molecular formula C188H112N6O4 and a molecular weight of 2519.00 g/mol. Its IUPAC name is 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine.

Molecular Properties

• Compound Name: 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
• PubChem CID: 161471889
• Molecular Formula: C188H112N6O4
• Molecular Weight: 2519.00 g/mol
• Exact Mass: 2516.87
• IUPAC Name: 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
• SMILES: c1ccc2c(c1)cc(-c1ccc(-c3nc4ccccc4c4ccc5c6ccccc6oc5c34)cc1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc1)c1c2ccc2c3ccccc3oc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9oc8c67)cc5)ccc4c3)ccc2c1
• InChI: InChI=1S/C55H33N3O.C49H29NO.C45H27NO.C39H23NO/c1-7-19-47-39(13-1)45-29-30-46-44-18-6-12-24-52(44)59-55(46)53(45)54(56-47)35-27-25-34(26-28-35)36-31-37(57-48-20-8-2-14-40(48)41-15-3-9-21-49(41)57)33-38(32-36)58-50-22-10-4-16-42(50)43-17-5-11-23-51(43)58;1-2-12-33-29-34(26-21-30(33)11-1)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)31-22-24-32(25-23-31)48-47-41(35-13-7-9-19-43(35)50-48)27-28-42-36-14-8-10-20-44(36)51-49(42)47;1-2-8-31-25-33(18-15-28(31)7-1)36-22-21-34-26-32(19-20-35(34)27-36)29-13-16-30(17-14-29)44-43-39(37-9-3-5-11-41(37)46-44)23-24-40-38-10-4-6-12-42(38)47-45(40)43;1-2-10-27-26(9-1)23-34(29-12-4-3-11-28(27)29)24-17-19-25(20-18-24)38-37-32(30-13-5-7-15-35(30)40-38)21-22-33-31-14-6-8-16-36(31)41-39(33)37/h1-33H;1-29H;1-27H;1-23H
• InChIKey: WDEVRZPQPHFVPG-UHFFFAOYSA-N
• XLogP: 52.09
• TPSA: 113.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2519.00
LogP ≤ 5	52.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?

The IUPAC name of 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine (CID 161471889) is 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine.

What is the SMILES notation for 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?

The canonical SMILES for 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine is c1ccc2c(c1)cc(-c1ccc(-c3nc4ccccc4c4ccc5c6ccccc6oc5c34)cc1)c1ccccc12.c1ccc2c(c1)nc(-c1ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc1)c1c2ccc2c3ccccc3oc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6c6ccc7c8ccccc8oc7c56)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc4cc(-c5ccc(-c6nc7ccccc7c7ccc8c9ccccc9oc8c67)cc5)ccc4c3)ccc2c1.

What is the InChIKey of 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?

The InChIKey is WDEVRZPQPHFVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O.C49H29NO.C45H27NO.C39H23NO/c1-7-19-47-39(13-1)45-29-30-46-44-18-6-12-24-52(44)59-55(46)53(45)54(56-47)35-27-25-34(26-28-35)36-31-37(57-48-20-8-2-14-40(48)41-15-3-9-21-49(41)57)33-38(32-36)58-50-22-10-4-16-42(50)43-17-5-11-23-51(43)58;1-2-12-33-29-34(26-21-30(33)11-1)46-39-17-5-3-15-37(39)45(38-16-4-6-18-40(38)46)31-22-24-32(25-23-31)48-47-41(35-13-7-9-19-43(35)50-48)27-28-42-36-14-8-10-20-44(36)51-49(42)47;1-2-8-31-25-33(18-15-28(31)7-1)36-22-21-34-26-32(19-20-35(34)27-36)29-13-16-30(17-14-29)44-43-39(37-9-3-5-11-41(37)46-44)23-24-40-38-10-4-6-12-42(38)47-45(40)43;1-2-10-27-26(9-1)23-34(29-12-4-3-11-28(27)29)24-17-19-25(20-18-24)38-37-32(30-13-5-7-15-35(30)40-38)21-22-33-31-14-6-8-16-36(31)41-39(33)37/h1-33H;1-29H;1-27H;1-23H.

What are the key properties of 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine?

12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine has a molecular weight of 2519.00 g/mol, XLogP of 52.09, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-phenanthren-9-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine is sourced from PubChem (CID 161471889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).