17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene

C57H47N — CID 123507937

IUPAC17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc3c4c(c21)C(C)(C)c1ccccc1CC4Cc1ccc(-c2ccccc2)cc1-3
InChIInChI=1S/C57H47N/c1-56(2)49-23-15-14-22-44(49)33-45-32-43-25-24-41(38-18-10-6-11-19-38)34-47(43)48-36-52-54(55(56)53(45)48)57(3,4)50-35-42(39-20-12-7-13-21-39)28-31-51(50)58(52)46-29-26-40(27-30-46)37-16-8-5-9-17-37/h5-31,34-36,45H,32-33H2,1-4H3
InChIKeyOMDNDHLWFIPVDP-UHFFFAOYSA-N
MW746.01 g/mol
LogP14.99
Rot. Bonds4

About 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene

17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene (PubChem CID 123507937) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene.

Molecular Properties

Compound Name17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene
PubChem CID123507937
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC Name17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc3c4c(c21)C(C)(C)c1ccccc1CC4Cc1ccc(-c2ccccc2)cc1-3
InChIInChI=1S/C57H47N/c1-56(2)49-23-15-14-22-44(49)33-45-32-43-25-24-41(38-18-10-6-11-19-38)34-47(43)48-36-52-54(55(56)53(45)48)57(3,4)50-35-42(39-20-12-7-13-21-39)28-31-51(50)58(52)46-29-26-40(27-30-46)37-16-8-5-9-17-37/h5-31,34-36,45H,32-33H2,1-4H3
InChIKeyOMDNDHLWFIPVDP-UHFFFAOYSA-N
XLogP14.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene with MolForge

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Related Compounds

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2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
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CID 59399596
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
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CID 158467826
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene?
The IUPAC name of 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene (CID 123507937) is 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene.
What is the SMILES notation for 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene?
The canonical SMILES for 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene is CC1(C)c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccccc3)cc2)c2cc3c4c(c21)C(C)(C)c1ccccc1CC4Cc1ccc(-c2ccccc2)cc1-3.
What is the InChIKey of 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene?
The InChIKey is OMDNDHLWFIPVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-56(2)49-23-15-14-22-44(49)33-45-32-43-25-24-41(38-18-10-6-11-19-38)34-47(43)48-36-52-54(55(56)53(45)48)57(3,4)50-35-42(39-20-12-7-13-21-39)28-31-51(50)58(52)46-29-26-40(27-30-46)37-16-8-5-9-17-37/h5-31,34-36,45H,32-33H2,1-4H3.
What are the key properties of 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene?
17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene has a molecular weight of 746.01 g/mol, XLogP of 14.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17,20,20-tetramethyl-4,23-diphenyl-27-(4-phenylphenyl)-27-azaheptacyclo[16.11.1.02,7.09,30.011,16.019,28.021,26]triaconta-1(29),2(7),3,5,11,13,15,18(30),19(28),21(26),22,24-dodecaene is sourced from PubChem (CID 123507937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).