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

C47H32 — CID 140725224

IUPAC25,25-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
SMILESCC1(C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C47H32/c1-47(2)45-38-26-14-8-20-32(38)40(28-41(45)44-33-21-9-6-18-30(33)31-19-7-15-27-39(31)46(44)47)43-36-24-12-10-22-34(36)42(29-16-4-3-5-17-29)35-23-11-13-25-37(35)43/h3-28H,1-2H3
InChIKeyCVKRCAGQQMDWGN-UHFFFAOYSA-N
MW596.77 g/mol
LogP13.09
Rot. Bonds2

About 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

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 (PubChem CID 140725224) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name25,25-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
PubChem CID140725224
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name25,25-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
SMILESCC1(C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C47H32/c1-47(2)45-38-26-14-8-20-32(38)40(28-41(45)44-33-21-9-6-18-30(33)31-19-7-15-27-39(31)46(44)47)43-36-24-12-10-22-34(36)42(29-16-4-3-5-17-29)35-23-11-13-25-37(35)43/h3-28H,1-2H3
InChIKeyCVKRCAGQQMDWGN-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 513.09
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-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 with MolForge

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Related Compounds

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-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
21,21-dimethyl-17-[10-(4-phenylphenyl)anthracen-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 140724573
4-[4-(25,25-dimethyl-17-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-dodecaenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121431166
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
4-[4-(25,25-dimethyl-17-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-dodecaenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 121431168
17-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-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
CID 159143787
25,25-dimethylhexacyclo[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 59742066
25,25-dimethyl-20-[3-(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(23),19,21-dodecaene
CID 140725341
25,25-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]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 140725347
19-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724618

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2c(cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 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?
The InChIKey is CVKRCAGQQMDWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-47(2)45-38-26-14-8-20-32(38)40(28-41(45)44-33-21-9-6-18-30(33)31-19-7-15-27-39(31)46(44)47)43-36-24-12-10-22-34(36)42(29-16-4-3-5-17-29)35-23-11-13-25-37(35)43/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 596.77 g/mol, XLogP of 13.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140725224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).