N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine

C102H60N2O4 — CID 134432579

About N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine

N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine (PubChem CID 134432579) has the molecular formula C102H60N2O4 and a molecular weight of 1377.61 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine
• PubChem CID: 134432579
• Molecular Formula: C102H60N2O4
• Molecular Weight: 1377.61 g/mol
• Exact Mass: 1376.46
• IUPAC Name: N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine
• SMILES: c1ccc(C2(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3cccc5c3oc3ccccc35)c3cccc5c3oc3ccccc35)c3ccccc43)c3ccc4ccccc4c3-c3c2cc(N(c2cccc4c2oc2ccccc24)c2cccc4c2oc2ccccc24)c2ccccc32)cc1
• InChI: InChI=1S/C102H60N2O4/c1-3-29-63(30-4-1)101(79-57-55-61-27-7-9-33-65(61)93(79)95-73-41-13-11-35-67(73)87(59-81(95)101)103(83-47-23-43-75-69-37-15-19-51-89(69)105-97(75)83)84-48-24-44-76-70-38-16-20-52-90(70)106-98(76)84)102(64-31-5-2-6-32-64)80-58-56-62-28-8-10-34-66(62)94(80)96-74-42-14-12-36-68(74)88(60-82(96)102)104(85-49-25-45-77-71-39-17-21-53-91(71)107-99(77)85)86-50-26-46-78-72-40-18-22-54-92(72)108-100(78)86/h1-60H
• InChIKey: VSUZLRPKPOOQIV-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.61
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine?

The IUPAC name of N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine (CID 134432579) is N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine?

The canonical SMILES for N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine is c1ccc(C2(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3cccc5c3oc3ccccc35)c3cccc5c3oc3ccccc35)c3ccccc43)c3ccc4ccccc4c3-c3c2cc(N(c2cccc4c2oc2ccccc24)c2cccc4c2oc2ccccc24)c2ccccc32)cc1.

What is the InChIKey of N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine?

The InChIKey is VSUZLRPKPOOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H60N2O4/c1-3-29-63(30-4-1)101(79-57-55-61-27-7-9-33-65(61)93(79)95-73-41-13-11-35-67(73)87(59-81(95)101)103(83-47-23-43-75-69-37-15-19-51-89(69)105-97(75)83)84-48-24-44-76-70-38-16-20-52-90(70)106-98(76)84)102(64-31-5-2-6-32-64)80-58-56-62-28-8-10-34-66(62)94(80)96-74-42-14-12-36-68(74)88(60-82(96)102)104(85-49-25-45-77-71-39-17-21-53-91(71)107-99(77)85)86-50-26-46-78-72-40-18-22-54-92(72)108-100(78)86/h1-60H.

What are the key properties of N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine?

N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine has a molecular weight of 1377.61 g/mol, XLogP of 28.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-N-[12-[9-[di(dibenzofuran-4-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]dibenzofuran-4-amine is sourced from PubChem (CID 134432579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).