17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C105H72O — CID 158872107

IUPAC17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4c(c6ccccc6c6ccccc46)C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C53H34O.C52H38/c1-53(2)45-26-23-32(29-43(45)51-37-17-7-5-15-35(37)36-16-6-12-22-42(36)52(51)53)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)33-25-27-46-44(30-33)50-34-14-4-3-13-31(34)24-28-47(50)54-46;1-51(2)44-24-14-13-17-35(44)36-27-25-32(30-46(36)51)48-40-21-10-8-19-38(40)47(39-20-9-11-22-41(39)48)31-26-28-45-43(29-31)49-37-18-7-5-15-33(37)34-16-6-12-23-42(34)50(49)52(45,3)4/h3-30H,1-2H3;5-30H,1-4H3
InChIKeyJBYYJMPJLFXPKL-UHFFFAOYSA-N
MW1349.73 g/mol
LogP29.24
Rot. Bonds4

About 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 158872107) has the molecular formula C105H72O and a molecular weight of 1349.73 g/mol. Its IUPAC name is 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
PubChem CID158872107
Molecular FormulaC105H72O
Molecular Weight1349.73 g/mol
Exact Mass1348.56
IUPAC Name17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4c(c6ccccc6c6ccccc46)C5(C)C)c4ccccc34)cc21
InChIInChI=1S/C53H34O.C52H38/c1-53(2)45-26-23-32(29-43(45)51-37-17-7-5-15-35(37)36-16-6-12-22-42(36)52(51)53)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)33-25-27-46-44(30-33)50-34-14-4-3-13-31(34)24-28-47(50)54-46;1-51(2)44-24-14-13-17-35(44)36-27-25-32(30-46(36)51)48-40-21-10-8-19-38(40)47(39-20-9-11-22-41(39)48)31-26-28-45-43(29-31)49-37-18-7-5-15-33(37)34-16-6-12-23-42(34)50(49)52(45,3)4/h3-30H,1-2H3;5-30H,1-4H3
InChIKeyJBYYJMPJLFXPKL-UHFFFAOYSA-N
XLogP29.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.73
LogP ≤ 529.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran with MolForge

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Related Compounds

10-[10-(25,25-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121430809
18-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189677
10-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473807
10-[5-[3-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]-8H-cyclohepta[b]naphthalen-11-yl]naphtho[2,1-b][1]benzofuran
CID 144802936
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190296
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-9-yl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724763
2-[10-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran;8-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-7,7-dimethylbenzo[c]fluorene
CID 158955634
18-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190369
2-[2-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 121421422
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 160957556
10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121421240

Frequently Asked Questions

What is the IUPAC name of 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 158872107) is 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)cc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4c(c6ccccc6c6ccccc46)C5(C)C)c4ccccc34)cc21.
What is the InChIKey of 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is JBYYJMPJLFXPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O.C52H38/c1-53(2)45-26-23-32(29-43(45)51-37-17-7-5-15-35(37)36-16-6-12-22-42(36)52(51)53)48-38-18-8-10-20-40(38)49(41-21-11-9-19-39(41)48)33-25-27-46-44(30-33)50-34-14-4-3-13-31(34)24-28-47(50)54-46;1-51(2)44-24-14-13-17-35(44)36-27-25-32(30-46(36)51)48-40-21-10-8-19-38(40)47(39-20-9-11-22-41(39)48)31-26-28-45-43(29-31)49-37-18-7-5-15-33(37)34-16-6-12-23-42(34)50(49)52(45,3)4/h3-30H,1-2H3;5-30H,1-4H3.
What are the key properties of 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 1349.73 g/mol, XLogP of 29.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 158872107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).