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

C59H49N — CID 123472137

IUPAC25-(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
SMILESCC1(C)c2cc3c(cc2-c2c1cc(CC(Cc1ccccc1)c1ccccc1)c1ccccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C59H49N/c1-58(2)51-37-50-52(59(3,4)54-38-55(46-30-18-20-32-48(46)57(50)54)60(43-25-13-7-14-26-43)44-27-15-8-16-28-44)36-49(51)56-47-31-19-17-29-45(47)42(35-53(56)58)34-41(40-23-11-6-12-24-40)33-39-21-9-5-10-22-39/h5-32,35-38,41H,33-34H2,1-4H3
InChIKeyHURPYXOOHXMAPA-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.64
Rot. Bonds8

About 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

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 (PubChem CID 123472137) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name25-(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
PubChem CID123472137
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC Name25-(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
SMILESCC1(C)c2cc3c(cc2-c2c1cc(CC(Cc1ccccc1)c1ccccc1)c1ccccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C59H49N/c1-58(2)51-37-50-52(59(3,4)54-38-55(46-30-18-20-32-48(46)57(50)54)60(43-25-13-7-14-26-43)44-27-15-8-16-28-44)36-49(51)56-47-31-19-17-29-45(47)42(35-53(56)58)34-41(40-23-11-6-12-24-40)33-39-21-9-5-10-22-39/h5-32,35-38,41H,33-34H2,1-4H3
InChIKeyHURPYXOOHXMAPA-UHFFFAOYSA-N
XLogP15.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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
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
7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 162712377
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[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 123586227
8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[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-hexadecaene
CID 144669671
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
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
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
12,12,22,22-tetramethyl-9-N,19-N-bis(2-methylphenyl)-9-N,19-N-bis(4-propan-2-ylphenyl)hexacyclo[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 171449195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3c(cc2-c2c1cc(CC(Cc1ccccc1)c1ccccc1)c1ccccc21)C(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2ccccc2c1-3.
What is the InChIKey of 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?
The InChIKey is HURPYXOOHXMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-58(2)51-37-50-52(59(3,4)54-38-55(46-30-18-20-32-48(46)57(50)54)60(43-25-13-7-14-26-43)44-27-15-8-16-28-44)36-49(51)56-47-31-19-17-29-45(47)42(35-53(56)58)34-41(40-23-11-6-12-24-40)33-39-21-9-5-10-22-39/h5-32,35-38,41H,33-34H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 772.05 g/mol, XLogP of 15.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123472137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).