25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C67H52 — CID 140725392

IUPAC25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC(C)(C)C1(C(C)(C)C)c2c(cc(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C67H52/c1-65(2,3)67(66(4,5)6)63-55-33-19-13-27-49(55)57(40-59(63)62-50-28-14-11-24-46(50)47-25-12-20-34-56(47)64(62)67)41-35-37-42(38-36-41)60-51-29-15-17-31-53(51)61(54-32-18-16-30-52(54)60)58-39-43-21-7-8-22-44(43)45-23-9-10-26-48(45)58/h7-40H,1-6H3
InChIKeyUSYWAGUAROBDBF-UHFFFAOYSA-N
MW857.15 g/mol
LogP19.12
Rot. Bonds3

About 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 140725392) has the molecular formula C67H52 and a molecular weight of 857.15 g/mol. Its IUPAC name is 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

Compound Name25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
PubChem CID140725392
Molecular FormulaC67H52
Molecular Weight857.15 g/mol
Exact Mass856.41
IUPAC Name25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC(C)(C)C1(C(C)(C)C)c2c(cc(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C67H52/c1-65(2,3)67(66(4,5)6)63-55-33-19-13-27-49(55)57(40-59(63)62-50-28-14-11-24-46(50)47-25-12-20-34-56(47)64(62)67)41-35-37-42(38-36-41)60-51-29-15-17-31-53(51)61(54-32-18-16-30-52(54)60)58-39-43-21-7-8-22-44(43)45-23-9-10-26-48(45)58/h7-40H,1-6H3
InChIKeyUSYWAGUAROBDBF-UHFFFAOYSA-N
XLogP19.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.15
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene with MolForge

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Related Compounds

25,25-ditert-butyl-17-(10-phenanthren-9-ylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725323
25,25-ditert-butyl-17-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725529
25,25-ditert-butyl-17-(10-phenylanthracen-9-yl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725942
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
25,25-ditert-butyl-22-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725549
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
25,25-ditert-butyl-20-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene
CID 140725886
25,25-ditert-butyl-5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]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-dodecaene
CID 140725334
25,25-ditert-butyl-5-[10-(4-phenylphenyl)anthracen-9-yl]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-dodecaene
CID 140725590
25,25-ditert-butyl-20-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725774
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
2-[10-[4-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 121431070

Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The IUPAC name of 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 140725392) is 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.
What is the SMILES notation for 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The canonical SMILES for 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is CC(C)(C)C1(C(C)(C)C)c2c(cc(-c3ccc(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)c3ccccc23)-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The InChIKey is USYWAGUAROBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52/c1-65(2,3)67(66(4,5)6)63-55-33-19-13-27-49(55)57(40-59(63)62-50-28-14-11-24-46(50)47-25-12-20-34-56(47)64(62)67)41-35-37-42(38-36-41)60-51-29-15-17-31-53(51)61(54-32-18-16-30-52(54)60)58-39-43-21-7-8-22-44(43)45-23-9-10-26-48(45)58/h7-40H,1-6H3.
What are the key properties of 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 857.15 g/mol, XLogP of 19.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-ditert-butyl-17-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 140725392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).