9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole

C150H85N3O3 — CID 161406390

About 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole

9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 161406390) has the molecular formula C150H85N3O3 and a molecular weight of 1977.35 g/mol. Its IUPAC name is 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole
• PubChem CID: 161406390
• Molecular Formula: C150H85N3O3
• Molecular Weight: 1977.35 g/mol
• Exact Mass: 1975.66
• IUPAC Name: 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole
• SMILES: c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1.c1ccc2c(c1)c1cccc3c4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c4cccc2c4c13
• InChI: InChI=1S/C54H31NO.2C48H27NO/c1-2-14-38-37(13-1)42-18-9-20-44-39-27-25-33(30-47(39)45-21-10-19-43(38)53(45)52(42)44)32-11-7-12-34(29-32)36-17-8-22-46-48-31-35(26-28-51(48)56-54(36)46)55-49-23-5-3-15-40(49)41-16-4-6-24-50(41)55;1-3-13-33-31(11-1)37-18-10-19-38-32-12-2-4-14-34(32)42-26-28(25-41(33)47(42)46(37)38)30-17-9-20-39-40-27-29(23-24-45(40)50-48(30)39)49-43-21-7-5-15-35(43)36-16-6-8-22-44(36)49;1-2-10-32-31(9-1)36-13-7-15-38-33-22-19-28(25-40(33)39-16-8-14-37(32)48(39)47(36)38)29-20-23-45-41(26-29)42-27-30(21-24-46(42)50-45)49-43-17-5-3-11-34(43)35-12-4-6-18-44(35)49/h1-31H;2*1-27H
• InChIKey: VUWYGVGIRVKYOB-UHFFFAOYSA-N
• XLogP: 42.33
• TPSA: 54.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1977.35
LogP ≤ 5	42.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole (CID 161406390) is 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole is c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)c2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1.c1ccc2c(c1)c1cccc3c4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c4cccc2c4c13.

What is the InChIKey of 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole?

The InChIKey is VUWYGVGIRVKYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31NO.2C48H27NO/c1-2-14-38-37(13-1)42-18-9-20-44-39-27-25-33(30-47(39)45-21-10-19-43(38)53(45)52(42)44)32-11-7-12-34(29-32)36-17-8-22-46-48-31-35(26-28-51(48)56-54(36)46)55-49-23-5-3-15-40(49)41-16-4-6-24-50(41)55;1-3-13-33-31(11-1)37-18-10-19-38-32-12-2-4-14-34(32)42-26-28(25-41(33)47(42)46(37)38)30-17-9-20-39-40-27-29(23-24-45(40)50-48(30)39)49-43-21-7-5-15-35(43)36-16-6-8-22-44(36)49;1-2-10-32-31(9-1)36-13-7-15-38-33-22-19-28(25-40(33)39-16-8-14-37(32)48(39)47(36)38)29-20-23-45-41(26-29)42-27-30(21-24-46(42)50-45)49-43-17-5-3-11-34(43)35-12-4-6-18-44(35)49/h1-31H;2*1-27H.

What are the key properties of 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole?

9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 1977.35 g/mol, XLogP of 42.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)dibenzofuran-2-yl]carbazole;9-[6-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 161406390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).