11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

C56H44N2 — CID 88848839

IUPAC11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc3c(cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C56H44N2/c1-55(2)47-33-46-48(34-45(47)53-43-31-19-17-29-41(43)51(35-49(53)55)57(37-21-9-5-10-22-37)38-23-11-6-12-24-38)56(3,4)50-36-52(42-30-18-20-32-44(42)54(46)50)58(39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-36H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyGSHOYCJIIYGCLN-MGKWXGLJSA-N
MW757.06 g/mol
LogP15.55
Rot. Bonds10

About 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (PubChem CID 88848839) has the molecular formula C56H44N2 and a molecular weight of 757.06 g/mol. Its IUPAC name is 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.

Molecular Properties

Compound Name11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
PubChem CID88848839
Molecular FormulaC56H44N2
Molecular Weight757.06 g/mol
Exact Mass756.43
IUPAC Name11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc3c(cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C56H44N2/c1-55(2)47-33-46-48(34-45(47)53-43-31-19-17-29-41(43)51(35-49(53)55)57(37-21-9-5-10-22-37)38-23-11-6-12-24-38)56(3,4)50-36-52(42-30-18-20-32-44(42)54(46)50)58(39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-36H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyGSHOYCJIIYGCLN-MGKWXGLJSA-N
XLogP15.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.06
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine with MolForge

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Related Compounds

7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
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CID 123586227
12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
25-(2,3-diphenylpropyl)-14,14,28,28-tetramethyl-N,N-diphenylheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine
CID 123472137
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 155323973
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290172
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
10-[2-chloro-3-(N-phenylanilino)phenoxy]-7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 155397681
9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607873
4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 170360567

Frequently Asked Questions

What is the IUPAC name of 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The IUPAC name of 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (CID 88848839) is 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.
What is the SMILES notation for 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The canonical SMILES for 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc3c(cc2-c2c1cc(N(c1ccccc1)c1ccccc1)c1ccccc21)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3.
What is the InChIKey of 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
The InChIKey is GSHOYCJIIYGCLN-MGKWXGLJSA-N. The full InChI is InChI=1S/C56H44N2/c1-55(2)47-33-46-48(34-45(47)53-43-31-19-17-29-41(43)51(35-49(53)55)57(37-21-9-5-10-22-37)38-23-11-6-12-24-38)56(3,4)50-36-52(42-30-18-20-32-44(42)54(46)50)58(39-25-13-7-14-26-39)40-27-15-8-16-28-40/h5-36H,1-4H3/i1D3,2D3,3D3,4D3.
What are the key properties of 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?
11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine has a molecular weight of 757.06 g/mol, XLogP of 15.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is sourced from PubChem (CID 88848839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).