4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C116H78O — CID 159970553

IUPAC4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C61H40O.C55H38/c1-61(2)58-41(30-15-33-53(58)57-46-24-5-3-21-43(46)44-22-4-10-29-51(44)59(57)61)37-17-13-19-39(35-37)55-47-25-6-8-27-49(47)56(50-28-9-7-26-48(50)55)40-20-14-18-38(36-40)42-31-16-32-52-45-23-11-12-34-54(45)62-60(42)52;1-55(2)53-40(31-16-32-49(53)52-43-25-8-6-23-41(43)42-24-7-13-30-48(42)54(52)55)37-20-15-22-39(34-37)51-46-28-11-9-26-44(46)50(45-27-10-12-29-47(45)51)38-21-14-19-36(33-38)35-17-4-3-5-18-35/h3-36H,1-2H3;3-34H,1-2H3
InChIKeyOEMLBKKKBKVIGL-UHFFFAOYSA-N
MW1487.90 g/mol
LogP32.45
Rot. Bonds8

About 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 159970553) has the molecular formula C116H78O and a molecular weight of 1487.90 g/mol. Its IUPAC name is 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID159970553
Molecular FormulaC116H78O
Molecular Weight1487.90 g/mol
Exact Mass1486.61
IUPAC Name4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESCC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C61H40O.C55H38/c1-61(2)58-41(30-15-33-53(58)57-46-24-5-3-21-43(46)44-22-4-10-29-51(44)59(57)61)37-17-13-19-39(35-37)55-47-25-6-8-27-49(47)56(50-28-9-7-26-48(50)55)40-20-14-18-38(36-40)42-31-16-32-52-45-23-11-12-34-54(45)62-60(42)52;1-55(2)53-40(31-16-32-49(53)52-43-25-8-6-23-41(43)42-24-7-13-30-48(42)54(52)55)37-20-15-22-39(34-37)51-46-28-11-9-26-44(46)50(45-27-10-12-29-47(45)51)38-21-14-19-36(33-38)35-17-4-3-5-18-35/h3-36H,1-2H3;3-34H,1-2H3
InChIKeyOEMLBKKKBKVIGL-UHFFFAOYSA-N
XLogP32.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.90
LogP ≤ 532.45
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 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

2-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421502
4-[10-[3-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 161381267
4-[3-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421355
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 159882490
4-[2-[10-[4-(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]anthracen-9-yl]phenyl]dibenzofuran
CID 121421429
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689

Frequently Asked Questions

What is the IUPAC name of 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 159970553) is 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)cccc2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is OEMLBKKKBKVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O.C55H38/c1-61(2)58-41(30-15-33-53(58)57-46-24-5-3-21-43(46)44-22-4-10-29-51(44)59(57)61)37-17-13-19-39(35-37)55-47-25-6-8-27-49(47)56(50-28-9-7-26-48(50)55)40-20-14-18-38(36-40)42-31-16-32-52-45-23-11-12-34-54(45)62-60(42)52;1-55(2)53-40(31-16-32-49(53)52-43-25-8-6-23-41(43)42-24-7-13-30-48(42)54(52)55)37-20-15-22-39(34-37)51-46-28-11-9-26-44(46)50(45-27-10-12-29-47(45)51)38-21-14-19-36(33-38)35-17-4-3-5-18-35/h3-36H,1-2H3;3-34H,1-2H3.
What are the key properties of 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 1487.90 g/mol, XLogP of 32.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[10-[3-(21,21-dimethyl-19-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;21,21-dimethyl-19-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 159970553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).