2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

C170H105N3S2 — CID 159382406

About 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (PubChem CID 159382406) has the molecular formula C170H105N3S2 and a molecular weight of 2253.86 g/mol. Its IUPAC name is 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
• PubChem CID: 159382406
• Molecular Formula: C170H105N3S2
• Molecular Weight: 2253.86 g/mol
• Exact Mass: 2251.77
• IUPAC Name: 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
• SMILES: c1cc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc5ccccc5c4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3ccc4ccc5ccccc5c4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)ccc1ccc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)cc3c12.c1ccc2cc(-c3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3)ccc2c1
• InChI: InChI=1S/C54H34N2.C48H28S2.C36H23N.C32H20/c1-2-18-42-39(13-1)34-48(38-15-12-17-41(32-38)56-52-25-9-5-21-45(52)46-22-6-10-26-53(46)56)47-30-29-35-27-28-37(33-49(35)54(42)47)36-14-11-16-40(31-36)55-50-23-7-3-19-43(50)44-20-4-8-24-51(44)55;1-2-8-38-29(7-1)13-16-31-17-14-30-15-18-32(26-41(30)48(31)38)35-23-36(33-19-21-46-42(27-33)39-9-3-5-11-44(39)49-46)25-37(24-35)34-20-22-47-43(28-34)40-10-4-6-12-45(40)50-47;1-2-11-30-24(8-1)16-19-26-20-17-25-18-21-28(23-33(25)36(26)30)27-9-7-10-29(22-27)37-34-14-5-3-12-31(34)32-13-4-6-15-35(32)37;1-2-7-26-19-27(17-9-21(26)5-1)28-18-12-23-11-14-25-16-15-24-13-10-22-6-3-4-8-29(22)31(24)32(25)30(23)20-28/h1-34H;1-28H;1-23H;1-20H
• InChIKey: LLBUNSBNWZUXNA-UHFFFAOYSA-N
• XLogP: 48.59
• TPSA: 14.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2253.86
LogP ≤ 5	48.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The IUPAC name of 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (CID 159382406) is 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.

What is the SMILES notation for 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The canonical SMILES for 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is c1cc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc5ccccc5c4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3ccc4ccc5ccccc5c4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)ccc1ccc3ccc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)cc3c12.c1ccc2cc(-c3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3)ccc2c1.

What is the InChIKey of 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

The InChIKey is LLBUNSBNWZUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2.C48H28S2.C36H23N.C32H20/c1-2-18-42-39(13-1)34-48(38-15-12-17-41(32-38)56-52-25-9-5-21-45(52)46-22-6-10-26-53(46)56)47-30-29-35-27-28-37(33-49(35)54(42)47)36-14-11-16-40(31-36)55-50-23-7-3-19-43(50)44-20-4-8-24-51(44)55;1-2-8-38-29(7-1)13-16-31-17-14-30-15-18-32(26-41(30)48(31)38)35-23-36(33-19-21-46-42(27-33)39-9-3-5-11-44(39)49-46)25-37(24-35)34-20-22-47-43(28-34)40-10-4-6-12-45(40)50-47;1-2-11-30-24(8-1)16-19-26-20-17-25-18-21-28(23-33(25)36(26)30)27-9-7-10-29(22-27)37-34-14-5-3-12-31(34)32-13-4-6-15-35(32)37;1-2-7-26-19-27(17-9-21(26)5-1)28-18-12-23-11-14-25-16-15-24-13-10-22-6-3-4-8-29(22)31(24)32(25)30(23)20-28/h1-34H;1-28H;1-23H;1-20H.

What are the key properties of 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?

2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene has a molecular weight of 2253.86 g/mol, XLogP of 48.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene;9-(3-benzo[c]phenanthren-2-ylphenyl)carbazole;9-[3-[2-(3-carbazol-9-ylphenyl)benzo[c]phenanthren-7-yl]phenyl]carbazole;5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 159382406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).