6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

C66H56N2 — CID 164809506

IUPAC6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
SMILESCC(C)(c1ccccc1)c1ccc2c3c4c5ccc(C(C)(C)c6ccccc6)cc5n5c6cc(C(C)(C)c7ccccc7)ccc6c(c6c7ccc(C(C)(C)c8ccccc8)cc7n(c2c1)c36)c45
InChIInChI=1S/C66H56N2/c1-63(2,41-21-13-9-14-22-41)45-29-33-49-53(37-45)67-54-38-46(64(3,4)42-23-15-10-16-24-42)30-34-50(54)59-60-52-36-32-48(66(7,8)44-27-19-12-20-28-44)40-56(52)68-55-39-47(65(5,6)43-25-17-11-18-26-43)31-35-51(55)58(62(60)68)57(49)61(59)67/h9-40H,1-8H3
InChIKeyGXPKRNHKYKHKPP-UHFFFAOYSA-N
MW877.19 g/mol
LogP17.29
Rot. Bonds8

About 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809506) has the molecular formula C66H56N2 and a molecular weight of 877.19 g/mol. Its IUPAC name is 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

Compound Name6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
PubChem CID164809506
Molecular FormulaC66H56N2
Molecular Weight877.19 g/mol
Exact Mass876.44
IUPAC Name6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
SMILESCC(C)(c1ccccc1)c1ccc2c3c4c5ccc(C(C)(C)c6ccccc6)cc5n5c6cc(C(C)(C)c7ccccc7)ccc6c(c6c7ccc(C(C)(C)c8ccccc8)cc7n(c2c1)c36)c45
InChIInChI=1S/C66H56N2/c1-63(2,41-21-13-9-14-22-41)45-29-33-49-53(37-45)67-54-38-46(64(3,4)42-23-15-10-16-24-42)30-34-50(54)59-60-52-36-32-48(66(7,8)44-27-19-12-20-28-44)40-56(52)68-55-39-47(65(5,6)43-25-17-11-18-26-43)31-35-51(55)58(62(60)68)57(49)61(59)67/h9-40H,1-8H3
InChIKeyGXPKRNHKYKHKPP-UHFFFAOYSA-N
XLogP17.29
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.19
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene with MolForge

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Related Compounds

12,27-bis(3,5-ditert-butylphenyl)-5,20-bis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
CID 164809373
6-tert-butyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906
12,27-bis(3,5-ditert-butylphenyl)-5,20-bis(1,1-diphenylethyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
CID 164809578
12,27-ditert-butyl-5-(2,6-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18,20,22,25(30),26,28-pentadecaene
CID 167153491
2-phenylpropan-2-ylbenzene
CID 13065
8,23-ditert-butyl-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
CID 167343399
5,12,20,27-tetrakis(trifluoromethyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
CID 167153486
9,24-ditert-butyl-13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene
CID 155399071
12,27-ditert-butyl-5,20-bis(2,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
CID 164809372
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
9-(4-iodo-3,5-diphenylphenyl)-3,6-bis(2-phenylpropan-2-yl)carbazole
CID 170072056
5,12,20,27-tetrakis(3,5-ditert-butylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
CID 164809493

Frequently Asked Questions

What is the IUPAC name of 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?
The IUPAC name of 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (CID 164809506) is 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.
What is the SMILES notation for 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?
The canonical SMILES for 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is CC(C)(c1ccccc1)c1ccc2c3c4c5ccc(C(C)(C)c6ccccc6)cc5n5c6cc(C(C)(C)c7ccccc7)ccc6c(c6c7ccc(C(C)(C)c8ccccc8)cc7n(c2c1)c36)c45.
What is the InChIKey of 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?
The InChIKey is GXPKRNHKYKHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H56N2/c1-63(2,41-21-13-9-14-22-41)45-29-33-49-53(37-45)67-54-38-46(64(3,4)42-23-15-10-16-24-42)30-34-50(54)59-60-52-36-32-48(66(7,8)44-27-19-12-20-28-44)40-56(52)68-55-39-47(65(5,6)43-25-17-11-18-26-43)31-35-51(55)58(62(60)68)57(49)61(59)67/h9-40H,1-8H3.
What are the key properties of 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?
6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 877.19 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12,21,27-tetrakis(2-phenylpropan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 164809506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).