14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine

C116H100N2O2 — CID 146190290

IUPAC14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)C5(C)C)cc2)c2ccccc12
InChIInChI=1S/C116H100N2O2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)117(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)101-67-100-106(110-107(101)89-37-25-27-39-103(89)120-110)92-66-97-91(65-98(92)116(100,15)16)105-99(115(97,13)14)68-102(109-108(105)90-38-26-28-40-104(90)119-109)118(75-53-45-71(46-54-75)79-59-63-95(113(7,8)9)87-35-23-19-31-83(79)87)76-55-47-72(48-56-76)80-60-64-96(114(10,11)12)88-36-24-20-32-84(80)88/h17-68H,1-16H3
InChIKeyLITSDNFOHABJOO-UHFFFAOYSA-N
MW1554.09 g/mol
LogP33.51
Rot. Bonds10

About 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine

14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine (PubChem CID 146190290) has the molecular formula C116H100N2O2 and a molecular weight of 1554.09 g/mol. Its IUPAC name is 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine.

Molecular Properties

Compound Name14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
PubChem CID146190290
Molecular FormulaC116H100N2O2
Molecular Weight1554.09 g/mol
Exact Mass1552.78
IUPAC Name14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)C5(C)C)cc2)c2ccccc12
InChIInChI=1S/C116H100N2O2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)117(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)101-67-100-106(110-107(101)89-37-25-27-39-103(89)120-110)92-66-97-91(65-98(92)116(100,15)16)105-99(115(97,13)14)68-102(109-108(105)90-38-26-28-40-104(90)119-109)118(75-53-45-71(46-54-75)79-59-63-95(113(7,8)9)87-35-23-19-31-83(79)87)76-55-47-72(48-56-76)80-60-64-96(114(10,11)12)88-36-24-20-32-84(80)88/h17-68H,1-16H3
InChIKeyLITSDNFOHABJOO-UHFFFAOYSA-N
XLogP33.51
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001554.09
LogP ≤ 533.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine with MolForge

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Related Compounds

6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-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 134561474
17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 134561243
17,17,34,34-tetramethyl-14-N,31-N-diphenyl-14-N,31-N-bis(2-phenylphenyl)-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 134561249
3,3,34,34-tetramethyl-6-N,6-N,31-N,31-N-tetrakis(4-naphthalen-1-ylphenyl)-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 134561240
14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-6,23-dioxa-17,34-disilanonacyclo[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-14,31-diamine
CID 153440177
3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-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 134561434
14,31-dibromo-17,17,34,34-tetramethyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 158247640
14-N,31-N-bis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxa-17,34-disilanonacyclo[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-14,31-diamine
CID 153440188
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
6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-3,3,34,34-tetramethyl-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;3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-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;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetrakis(2-methylphenyl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine;17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,23,25,27,30,32-pentadecaene-14,31-diamine
CID 157176243
N-(2-tert-butylphenyl)-N-[14,14-dimethyl-11-(4-phenylphenyl)-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]-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),13,15,19,22,24,26-dodecaen-15-amine
CID 164801466
N-[14,14-dimethyl-11-(4-methylphenyl)-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]-14,14-dimethyl-N,11-bis(4-methylphenyl)-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-amine
CID 138569745

Frequently Asked Questions

What is the IUPAC name of 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The IUPAC name of 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine (CID 146190290) is 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine.
What is the SMILES notation for 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The canonical SMILES for 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5c3oc3ccccc35)-c3cc5c(cc3C4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)C5(C)C)cc2)c2ccccc12.
What is the InChIKey of 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
The InChIKey is LITSDNFOHABJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H100N2O2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)117(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)101-67-100-106(110-107(101)89-37-25-27-39-103(89)120-110)92-66-97-91(65-98(92)116(100,15)16)105-99(115(97,13)14)68-102(109-108(105)90-38-26-28-40-104(90)119-109)118(75-53-45-71(46-54-75)79-59-63-95(113(7,8)9)87-35-23-19-31-83(79)87)76-55-47-72(48-56-76)80-60-64-96(114(10,11)12)88-36-24-20-32-84(80)88/h17-68H,1-16H3.
What are the key properties of 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine?
14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine has a molecular weight of 1554.09 g/mol, XLogP of 33.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,14-N,31-N,31-N-tetrakis[4-(4-tert-butylnaphthalen-1-yl)phenyl]-17,17,34,34-tetramethyl-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine is sourced from PubChem (CID 146190290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).