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

C114H100N2O2Si2 — CID 153440177

IUPAC14-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
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3[Si]4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)[Si]5(C)C)cc2)c2ccccc12
InChIInChI=1S/C114H100N2O2Si2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)115(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)97-67-103-107(109-105(97)89-37-25-27-39-99(89)117-109)91-65-102-92(66-101(91)119(103,13)14)108-104(120(102,15)16)68-98(106-90-38-26-28-40-100(90)118-110(106)108)116(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
InChIKeySBAQYRXIRKKZSR-UHFFFAOYSA-N
MW1586.24 g/mol
LogP30.50
Rot. Bonds10

About 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

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 (PubChem CID 153440177) has the molecular formula C114H100N2O2Si2 and a molecular weight of 1586.24 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-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.

Molecular Properties

Compound Name14-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
PubChem CID153440177
Molecular FormulaC114H100N2O2Si2
Molecular Weight1586.24 g/mol
Exact Mass1584.73
IUPAC Name14-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
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3[Si]4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)[Si]5(C)C)cc2)c2ccccc12
InChIInChI=1S/C114H100N2O2Si2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)115(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)97-67-103-107(109-105(97)89-37-25-27-39-99(89)117-109)91-65-102-92(66-101(91)119(103,13)14)108-104(120(102,15)16)68-98(106-90-38-26-28-40-100(90)118-110(106)108)116(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
InChIKeySBAQYRXIRKKZSR-UHFFFAOYSA-N
XLogP30.50
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001586.24
LogP ≤ 530.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440163
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
17,17,34,34-tetramethyl-14-N,14-N,31-N,31-N-tetraphenyl-12,29-dioxa-17,34-disilanonacyclo[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 153440138
17,17,34,34-tetramethyl-14,31-bis(4-phenylnaphthalen-1-yl)-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
CID 153293514
3,3,34,34-tetramethyl-6-N,31-N-diphenyl-6-N,31-N-bis(2-phenylphenyl)-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440185
3,3,34,34-tetramethyl-6-N,31-N-bis(2-methylphenyl)-6-N,31-N-diphenyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene-6,31-diamine
CID 153440171
14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene-14,31-diamine
CID 153440164
N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-14-silapentacyclo[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 164937720
17,17,34,34-tetramethyl-14,31-bis(3-phenylphenyl)-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
CID 142357682
9,9-bis(3-methylphenyl)-6-N,12-N-bis(4-methylphenyl)-6-N,12-N-bis[4-(2-methylphenyl)phenyl]-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene-6,12-diamine
CID 156630650
14,31-di(dibenzofuran-3-yl)-17,17,34,34-tetramethyl-12,23-dioxa-17,34-disilanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 153293506

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-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?
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-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) is 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.
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-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?
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-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 is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)c5ccccc45)cc3)c3cc4c(c5oc6ccccc6c35)-c3cc5c(cc3[Si]4(C)C)-c3c(cc(N(c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4ccc(-c6ccc(C(C)(C)C)c7ccccc67)cc4)c4c3oc3ccccc34)[Si]5(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-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?
The InChIKey is SBAQYRXIRKKZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H100N2O2Si2/c1-111(2,3)93-61-57-77(81-29-17-21-33-85(81)93)69-41-49-73(50-42-69)115(74-51-43-70(44-52-74)78-58-62-94(112(4,5)6)86-34-22-18-30-82(78)86)97-67-103-107(109-105(97)89-37-25-27-39-99(89)117-109)91-65-102-92(66-101(91)119(103,13)14)108-104(120(102,15)16)68-98(106-90-38-26-28-40-100(90)118-110(106)108)116(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-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?
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 has a molecular weight of 1586.24 g/mol, XLogP of 30.50, 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-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 is sourced from PubChem (CID 153440177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).