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

C53H44 — CID 140725942

IUPAC25,25-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
SMILESCC(C)(C)C1(C(C)(C)C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C53H44/c1-51(2,3)53(52(4,5)6)49-42-30-18-12-24-36(42)44(32-45(49)48-37-25-13-10-22-34(37)35-23-11-19-31-43(35)50(48)53)47-40-28-16-14-26-38(40)46(33-20-8-7-9-21-33)39-27-15-17-29-41(39)47/h7-32H,1-6H3
InChIKeyICAKDYOZWNFVIX-UHFFFAOYSA-N
MW680.94 g/mol
LogP15.15
Rot. Bonds2

About 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

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 (PubChem CID 140725942) has the molecular formula C53H44 and a molecular weight of 680.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name25,25-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
PubChem CID140725942
Molecular FormulaC53H44
Molecular Weight680.94 g/mol
Exact Mass680.34
IUPAC Name25,25-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
SMILESCC(C)(C)C1(C(C)(C)C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C53H44/c1-51(2,3)53(52(4,5)6)49-42-30-18-12-24-36(42)44(32-45(49)48-37-25-13-10-22-34(37)35-23-11-19-31-43(35)50(48)53)47-40-28-16-14-26-38(40)46(33-20-8-7-9-21-33)39-27-15-17-29-41(39)47/h7-32H,1-6H3
InChIKeyICAKDYOZWNFVIX-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.94
LogP ≤ 515.15
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-(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-dimethyl-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 140725224
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-dimethyl-17-[4-(10-phenylanthracen-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 140725941
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
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-20-[10-(3-phenylphenyl)anthracen-9-yl]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 140725779
25,25-ditert-butyl-22-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]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 140725430
3-[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]-9-phenylcarbazole
CID 121431071
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1(C(C)(C)C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 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?
The InChIKey is ICAKDYOZWNFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44/c1-51(2,3)53(52(4,5)6)49-42-30-18-12-24-36(42)44(32-45(49)48-37-25-13-10-22-34(37)35-23-11-19-31-43(35)50(48)53)47-40-28-16-14-26-38(40)46(33-20-8-7-9-21-33)39-27-15-17-29-41(39)47/h7-32H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 680.94 g/mol, XLogP of 15.15, 2 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-(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 is sourced from PubChem (CID 140725942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).