5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

C248H154 — CID 162264958

About 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene

5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (PubChem CID 162264958) has the molecular formula C248H154 and a molecular weight of 3133.96 g/mol. Its IUPAC name is 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.

Molecular Properties

• Compound Name: 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
• PubChem CID: 162264958
• Molecular Formula: C248H154
• Molecular Weight: 3133.96 g/mol
• Exact Mass: 3131.21
• IUPAC Name: 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
• SMILES: c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4c(ccc5ccc6ccccc6c54)c4ccccc34)c2)cc(-c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)c1.c1cc(-c2cccc(-c3cc4ccccc4c4c3ccc3ccccc34)c2)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)c4ccccc34)c3ccccc13)c1ccccc12
• InChI: InChI=1S/2C56H34.2C48H30.C40H26/c1-3-17-43-35(11-1)23-25-37-27-29-49-45-19-5-7-21-47(45)51(33-53(49)55(37)43)41-15-9-13-39(31-41)40-14-10-16-42(32-40)52-34-54-50(46-20-6-8-22-48(46)52)30-28-38-26-24-36-12-2-4-18-44(36)56(38)54;1-2-16-36-35(15-1)33-53(44-24-9-3-17-37(36)44)49-31-29-47(38-18-4-6-20-40(38)49)48-30-32-50(41-21-7-5-19-39(41)48)54-34-55-45-25-10-8-22-42(45)43-23-11-13-27-51(43)56(55)52-28-14-12-26-46(52)54;1-4-18-39-31(11-1)23-24-38-30-45(42-21-7-8-22-43(42)47(38)39)35-16-9-14-33(27-35)34-15-10-17-36(28-34)46-29-37-13-3-6-20-41(37)48-40-19-5-2-12-32(40)25-26-44(46)48;1-4-15-41-31(10-1)20-25-39-30-47(44-18-7-8-19-45(44)48(39)41)38-24-23-34-26-33(21-22-35(34)28-38)32-12-9-13-36(27-32)46-29-37-11-2-3-14-40(37)42-16-5-6-17-43(42)46;1-2-10-31-24-33(22-20-27(31)8-1)29-18-16-28(17-19-29)32-11-7-12-34(25-32)39-26-35-23-21-30-9-3-4-13-36(30)40(35)38-15-6-5-14-37(38)39/h2*1-34H;2*1-30H;1-26H
• InChIKey: ZZTVZHQZXWLORH-UHFFFAOYSA-N
• XLogP: 70.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3133.96
LogP ≤ 5	70.34
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 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?

The IUPAC name of 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene (CID 162264958) is 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene.

What is the SMILES notation for 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?

The canonical SMILES for 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1cc(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2cccc(-c3cc4c(ccc5ccc6ccccc6c54)c4ccccc34)c2)cc(-c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)c1.c1cc(-c2cccc(-c3cc4ccccc4c4c3ccc3ccccc34)c2)cc(-c2cc3ccc4ccccc4c3c3ccccc23)c1.c1ccc2c(c1)cc(-c1ccc(-c3ccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)c4ccccc34)c3ccccc13)c1ccccc12.

What is the InChIKey of 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?

The InChIKey is ZZTVZHQZXWLORH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H34.2C48H30.C40H26/c1-3-17-43-35(11-1)23-25-37-27-29-49-45-19-5-7-21-47(45)51(33-53(49)55(37)43)41-15-9-13-39(31-41)40-14-10-16-42(32-40)52-34-54-50(46-20-6-8-22-48(46)52)30-28-38-26-24-36-12-2-4-18-44(36)56(38)54;1-2-16-36-35(15-1)33-53(44-24-9-3-17-37(36)44)49-31-29-47(38-18-4-6-20-40(38)49)48-30-32-50(41-21-7-5-19-39(41)48)54-34-55-45-25-10-8-22-42(45)43-23-11-13-27-51(43)56(55)52-28-14-12-26-46(52)54;1-4-18-39-31(11-1)23-24-38-30-45(42-21-7-8-22-43(42)47(38)39)35-16-9-14-33(27-35)34-15-10-17-36(28-34)46-29-37-13-3-6-20-41(37)48-40-19-5-2-12-32(40)25-26-44(46)48;1-4-15-41-31(10-1)20-25-39-30-47(44-18-7-8-19-45(44)48(39)41)38-24-23-34-26-33(21-22-35(34)28-38)32-12-9-13-36(27-32)46-29-37-11-2-3-14-40(37)42-16-5-6-17-43(42)46;1-2-10-31-24-33(22-20-27(31)8-1)29-18-16-28(17-19-29)32-11-7-12-34(25-32)39-26-35-23-21-30-9-3-4-13-36(30)40(35)38-15-6-5-14-37(38)39/h2*1-34H;2*1-30H;1-26H.

What are the key properties of 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene?

5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene has a molecular weight of 3133.96 g/mol, XLogP of 70.34, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3-benzo[c]phenanthren-6-ylphenyl)phenyl]benzo[c]phenanthrene;5-[3-(4-naphthalen-2-ylphenyl)phenyl]benzo[c]phenanthrene;21-[3-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]phenyl]pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene;21-[4-(4-phenanthren-9-ylnaphthalen-1-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;5-[6-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene is sourced from PubChem (CID 162264958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).