10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene

C166H122 — CID 157388493

About 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene

10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene (PubChem CID 157388493) has the molecular formula C166H122 and a molecular weight of 2116.80 g/mol. Its IUPAC name is 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene.

Molecular Properties

• Compound Name: 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene
• PubChem CID: 157388493
• Molecular Formula: C166H122
• Molecular Weight: 2116.80 g/mol
• Exact Mass: 2114.95
• IUPAC Name: 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc4cc(-c5ccc6ccccc6c5)ccc4c2)cc1C3(C)C.CC1(C)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2c1ccc1c2C(C)(C)c2ccccc2-1.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c2)cc1C3(C)C
• InChI: InChI=1S/C58H42.2C54H40/c1-57(2)52-28-26-41(33-50(52)55-53(57)29-27-48-46-17-9-10-19-51(46)58(3,4)56(48)55)37-14-11-13-36(30-37)38-21-22-40-32-42(24-23-39(40)31-38)49-34-43-25-20-35-12-5-6-15-44(35)54(43)47-18-8-7-16-45(47)49;1-53(2)49-29-43(41-16-14-34-10-6-8-12-36(34)26-41)21-23-45(49)47-31-52-48(32-51(47)53)46-24-22-44(30-50(46)54(52,3)4)42-20-19-39-27-38(17-18-40(39)28-42)37-15-13-33-9-5-7-11-35(33)25-37;1-53(2)49-16-10-9-15-44(49)47-31-52-48(32-51(47)53)45-24-23-39(30-50(45)54(52,3)4)42-28-40-13-7-8-14-43(40)46(29-42)41-22-21-37-26-36(19-20-38(37)27-41)35-18-17-33-11-5-6-12-34(33)25-35/h5-34H,1-4H3;2*5-32H,1-4H3
• InChIKey: BLSHTJYFNRORIC-UHFFFAOYSA-N
• XLogP: 45.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2116.80
LogP ≤ 5	45.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene?

The IUPAC name of 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene (CID 157388493) is 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene.

What is the SMILES notation for 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene?

The canonical SMILES for 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc4cc(-c5ccc6ccccc6c5)ccc4c2)cc1C3(C)C.CC1(C)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2c1ccc1c2C(C)(C)c2ccccc2-1.CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc4c2)cc1C3(C)C.

What is the InChIKey of 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene?

The InChIKey is BLSHTJYFNRORIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42.2C54H40/c1-57(2)52-28-26-41(33-50(52)55-53(57)29-27-48-46-17-9-10-19-51(46)58(3,4)56(48)55)37-14-11-13-36(30-37)38-21-22-40-32-42(24-23-39(40)31-38)49-34-43-25-20-35-12-5-6-15-44(35)54(43)47-18-8-7-16-45(47)49;1-53(2)49-29-43(41-16-14-34-10-6-8-12-36(34)26-41)21-23-45(49)47-31-52-48(32-51(47)53)46-24-22-44(30-50(46)54(52,3)4)42-20-19-39-27-38(17-18-40(39)28-42)37-15-13-33-9-5-7-11-35(33)25-37;1-53(2)49-16-10-9-15-44(49)47-31-52-48(32-51(47)53)45-24-23-39(30-50(45)54(52,3)4)42-28-40-13-7-8-14-43(40)46(29-42)41-22-21-37-26-36(19-20-38(37)27-41)35-18-17-33-11-5-6-12-34(33)25-35/h5-34H,1-4H3;2*5-32H,1-4H3.

What are the key properties of 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene?

10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene has a molecular weight of 2116.80 g/mol, XLogP of 45.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene;6,6,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-b]fluorene;6,6,12,12-tetramethyl-8-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-b]fluorene is sourced from PubChem (CID 157388493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).