11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene

C70H50N2O — CID 140920272

IUPAC11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
SMILES[2H]C(C)(C)c1cc(C([2H])(C)C)c(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)nc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2
InChIInChI=1S/C70H50N2O/c1-41(2)61-40-62(42(3)4)68(45-32-35-56-59-28-16-36-71-69(59)58-25-12-11-20-50(58)49-19-7-10-23-53(49)65(56)39-45)72-67(61)44-31-34-55-54-33-30-43(46-26-15-27-60-57-24-13-14-29-66(57)73-70(46)60)37-63(54)51-21-8-5-17-47(51)48-18-6-9-22-52(48)64(55)38-44/h5-42H,1-4H3/b48-47-,50-49-,55-54-,59-56-,63-51-,64-52-,65-53-,69-58+/i41D,42D
InChIKeyXWASVHBENWAMTC-CPXFGKSHSA-N
MW937.20 g/mol
LogP19.59
Rot. Bonds5

About 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene

11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene (PubChem CID 140920272) has the molecular formula C70H50N2O and a molecular weight of 937.20 g/mol. Its IUPAC name is 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
PubChem CID140920272
Molecular FormulaC70H50N2O
Molecular Weight937.20 g/mol
Exact Mass936.40
IUPAC Name11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene
SMILES[2H]C(C)(C)c1cc(C([2H])(C)C)c(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)nc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2
InChIInChI=1S/C70H50N2O/c1-41(2)61-40-62(42(3)4)68(45-32-35-56-59-28-16-36-71-69(59)58-25-12-11-20-50(58)49-19-7-10-23-53(49)65(56)39-45)72-67(61)44-31-34-55-54-33-30-43(46-26-15-27-60-57-24-13-14-29-66(57)73-70(46)60)37-63(54)51-21-8-5-17-47(51)48-18-6-9-22-52(48)64(55)38-44/h5-42H,1-4H3/b48-47-,50-49-,55-54-,59-56-,63-51-,64-52-,65-53-,69-58+/i41D,42D
InChIKeyXWASVHBENWAMTC-CPXFGKSHSA-N
XLogP19.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.20
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425
8-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-(2-deuteriopropan-2-yl)phenyl]tetraphenylen-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 140920255
16-dibenzofuran-4-yl-21,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 134428728
5-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;6-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24,27-tetradecaene;9-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;10-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene;11-dibenzofuran-4-yl-22-azahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21(26),22,24,27-tetradecaene
CID 159439237
6-[7-[3-(3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaen-11-yl)-2-tert-butylphenyl]tetraphenylen-2-yl]dibenzofuran-2-carbonitrile
CID 140920467
16-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294916
4-(2-deuteriopropan-2-yl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-5-(trideuteriomethyl)pyridine
CID 166588109
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
6-dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838316
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367

Frequently Asked Questions

What is the IUPAC name of 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene?
The IUPAC name of 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene (CID 140920272) is 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene.
What is the SMILES notation for 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene?
The canonical SMILES for 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene is [2H]C(C)(C)c1cc(C([2H])(C)C)c(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ncccc2-3)nc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.
What is the InChIKey of 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene?
The InChIKey is XWASVHBENWAMTC-CPXFGKSHSA-N. The full InChI is InChI=1S/C70H50N2O/c1-41(2)61-40-62(42(3)4)68(45-32-35-56-59-28-16-36-71-69(59)58-25-12-11-20-50(58)49-19-7-10-23-53(49)65(56)39-45)72-67(61)44-31-34-55-54-33-30-43(46-26-15-27-60-57-24-13-14-29-66(57)73-70(46)60)37-63(54)51-21-8-5-17-47(51)48-18-6-9-22-52(48)64(55)38-44/h5-42H,1-4H3/b48-47-,50-49-,55-54-,59-56-,63-51-,64-52-,65-53-,69-58+/i41D,42D.
What are the key properties of 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene?
11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene has a molecular weight of 937.20 g/mol, XLogP of 19.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3,5-bis(2-deuteriopropan-2-yl)-6-(7-dibenzofuran-4-yltetraphenylen-2-yl)-2-pyridinyl]-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14,16,18,20,22-dodecaene is sourced from PubChem (CID 140920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).