N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine

C62H43NO4 — CID 155088734

IUPACN-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine
SMILESCc1ccc(N(c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c(C)c1
InChIInChI=1S/C62H43NO4/c1-32-23-28-44(33(2)29-32)63(45-30-42-53(51-38-17-9-13-21-49(38)66-59(45)51)55-40(61(42,3)4)26-24-36-34-15-7-11-19-47(34)64-57(36)55)46-31-43-54(52-39-18-10-14-22-50(39)67-60(46)52)56-41(62(43,5)6)27-25-37-35-16-8-12-20-48(35)65-58(37)56/h7-31H,1-6H3
InChIKeyAYTYRAQEAUEWFQ-UHFFFAOYSA-N
MW866.03 g/mol
LogP17.98
Rot. Bonds3

About N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine

N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine (PubChem CID 155088734) has the molecular formula C62H43NO4 and a molecular weight of 866.03 g/mol. Its IUPAC name is N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine.

Molecular Properties

Compound NameN-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine
PubChem CID155088734
Molecular FormulaC62H43NO4
Molecular Weight866.03 g/mol
Exact Mass865.32
IUPAC NameN-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine
SMILESCc1ccc(N(c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c(C)c1
InChIInChI=1S/C62H43NO4/c1-32-23-28-44(33(2)29-32)63(45-30-42-53(51-38-17-9-13-21-49(38)66-59(45)51)55-40(61(42,3)4)26-24-36-34-15-7-11-19-47(34)64-57(36)55)46-31-43-54(52-39-18-10-14-22-50(39)67-60(46)52)56-41(62(43,5)6)27-25-37-35-16-8-12-20-48(35)65-58(37)56/h7-31H,1-6H3
InChIKeyAYTYRAQEAUEWFQ-UHFFFAOYSA-N
XLogP17.98
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.03
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine with MolForge

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Related Compounds

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CID 134561481
6-N,6-N,31-N,31-N-tetrakis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561184
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 134561344
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
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CID 134561072
N-[11-(4-tert-butylphenyl)-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-(2,4-dimethylphenyl)-15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163763007
15-N,24-N-bis(4-tert-butylphenyl)-15-N,24-N-bis(2,4-dimethylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
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3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetraphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,9,11,13,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561487
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-dimethylphenyl)-7-methylpyrene-1,3-diamine
CID 122578846
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
CID 134561114

Frequently Asked Questions

What is the IUPAC name of N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The IUPAC name of N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine (CID 155088734) is N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine.
What is the SMILES notation for N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The canonical SMILES for N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine is Cc1ccc(N(c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c2cc3c(c4c2oc2ccccc24)-c2c(ccc4c2oc2ccccc24)C3(C)C)c(C)c1.
What is the InChIKey of N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The InChIKey is AYTYRAQEAUEWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO4/c1-32-23-28-44(33(2)29-32)63(45-30-42-53(51-38-17-9-13-21-49(38)66-59(45)51)55-40(61(42,3)4)26-24-36-34-15-7-11-19-47(34)64-57(36)55)46-31-43-54(52-39-18-10-14-22-50(39)67-60(46)52)56-41(62(43,5)6)27-25-37-35-16-8-12-20-48(35)65-58(37)56/h7-31H,1-6H3.
What are the key properties of N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine?
N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine has a molecular weight of 866.03 g/mol, XLogP of 17.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-yl)-N-(2,4-dimethylphenyl)-15,15-dimethyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaen-12-amine is sourced from PubChem (CID 155088734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).