15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

C51H35N — CID 142380452

IUPAC15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
SMILESCn1c2ccc3c(c2c2c4c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H35N/c1-52-44-32-30-42-46(38-26-14-16-28-40(38)50(42,34-18-6-2-7-19-34)35-20-8-3-9-21-35)48(44)49-45(52)33-31-43-47(49)39-27-15-17-29-41(39)51(43,36-22-10-4-11-23-36)37-24-12-5-13-25-37/h2-33H,1H3
InChIKeyBJIQZJYQZLVCBH-UHFFFAOYSA-N
MW661.85 g/mol
LogP12.06
Rot. Bonds4

About 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (PubChem CID 142380452) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

Molecular Properties

Compound Name15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
PubChem CID142380452
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
SMILESCn1c2ccc3c(c2c2c4c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H35N/c1-52-44-32-30-42-46(38-26-14-16-28-40(38)50(42,34-18-6-2-7-19-34)35-20-8-3-9-21-35)48(44)49-45(52)33-31-43-47(49)39-27-15-17-29-41(39)51(43,36-22-10-4-11-23-36)37-24-12-5-13-25-37/h2-33H,1H3
InChIKeyBJIQZJYQZLVCBH-UHFFFAOYSA-N
XLogP12.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene with MolForge

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Related Compounds

9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126632479
4-methyl-9,9-diphenylfluorene
CID 123595050
12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 144919780
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
9,9-diphenylfluorene;methoxymethane
CID 143139467
(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 129290270
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
10,10-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.04,9.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),4,6,8,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
CID 138745289

Frequently Asked Questions

What is the IUPAC name of 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The IUPAC name of 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (CID 142380452) is 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.
What is the SMILES notation for 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The canonical SMILES for 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is Cn1c2ccc3c(c2c2c4c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-4)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The InChIKey is BJIQZJYQZLVCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-52-44-32-30-42-46(38-26-14-16-28-40(38)50(42,34-18-6-2-7-19-34)35-20-8-3-9-21-35)48(44)49-45(52)33-31-43-47(49)39-27-15-17-29-41(39)51(43,36-22-10-4-11-23-36)37-24-12-5-13-25-37/h2-33H,1H3.
What are the key properties of 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene has a molecular weight of 661.85 g/mol, XLogP of 12.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 142380452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).