23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene

C64H44 — CID 123308416

IUPAC23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene
SMILESC1=CC2C=CC3=C4C5=C(CC3)c3c(c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c3-c3ccccc3-c3ccccc3)C3=c6c-7cccc6=C6C=CCCC6C3)C5=CC(=C1)C42
InChIInChI=1S/C64H44/c1-3-14-37(15-4-1)41-20-12-21-43(32-41)58-54-35-51-49-27-13-26-47-46-24-8-7-18-42(46)33-53(60(47)49)52(51)36-55(54)61(48-25-10-9-23-45(48)38-16-5-2-6-17-38)63-50-31-30-40-29-28-39-19-11-22-44-34-56(64(58)63)62(50)59(40)57(39)44/h1-6,8-17,19-29,32,34-36,39,42,57H,7,18,30-31,33H2
InChIKeyPJFBWRFXDKETBL-UHFFFAOYSA-N
MW813.06 g/mol
LogP14.76
Rot. Bonds4

About 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene

23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene (PubChem CID 123308416) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene.

Molecular Properties

Compound Name23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene
PubChem CID123308416
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene
SMILESC1=CC2C=CC3=C4C5=C(CC3)c3c(c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c3-c3ccccc3-c3ccccc3)C3=c6c-7cccc6=C6C=CCCC6C3)C5=CC(=C1)C42
InChIInChI=1S/C64H44/c1-3-14-37(15-4-1)41-20-12-21-43(32-41)58-54-35-51-49-27-13-26-47-46-24-8-7-18-42(46)33-53(60(47)49)52(51)36-55(54)61(48-25-10-9-23-45(48)38-16-5-2-6-17-38)63-50-31-30-40-29-28-39-19-11-22-44-34-56(64(58)63)62(50)59(40)57(39)44/h1-6,8-17,19-29,32,34-36,39,42,57H,7,18,30-31,33H2
InChIKeyPJFBWRFXDKETBL-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene?
The IUPAC name of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene (CID 123308416) is 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene.
What is the SMILES notation for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene?
The canonical SMILES for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene is C1=CC2C=CC3=C4C5=C(CC3)c3c(c(-c6cccc(-c7ccccc7)c6)c6cc7c(cc6c3-c3ccccc3-c3ccccc3)C3=c6c-7cccc6=C6C=CCCC6C3)C5=CC(=C1)C42.
What is the InChIKey of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene?
The InChIKey is PJFBWRFXDKETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44/c1-3-14-37(15-4-1)41-20-12-21-43(32-41)58-54-35-51-49-27-13-26-47-46-24-8-7-18-42(46)33-53(60(47)49)52(51)36-55(54)61(48-25-10-9-23-45(48)38-16-5-2-6-17-38)63-50-31-30-40-29-28-39-19-11-22-44-34-56(64(58)63)62(50)59(40)57(39)44/h1-6,8-17,19-29,32,34-36,39,42,57H,7,18,30-31,33H2.
What are the key properties of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene?
23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene has a molecular weight of 813.06 g/mol, XLogP of 14.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene is sourced from PubChem (CID 123308416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).