8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine

C66H54N2O2 — CID 146666166

IUPAC8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4cc5oc6c(N(c7ccc(-c8ccccc8)cc7)c7ccc(C(C)(C)C)cc7)cccc6c5cc4cc23)cc1
InChIInChI=1S/C66H54N2O2/c1-65(2,3)49-27-35-53(36-28-49)67(51-31-23-45(24-32-51)43-15-9-7-10-16-43)59-21-13-19-55-57-39-47-40-58-56-20-14-22-60(64(56)70-62(58)42-48(47)41-61(57)69-63(55)59)68(54-37-29-50(30-38-54)66(4,5)6)52-33-25-46(26-34-52)44-17-11-8-12-18-44/h7-42H,1-6H3
InChIKeyYDZYZLLGLDZCOW-UHFFFAOYSA-N
MW907.17 g/mol
LogP19.51
Rot. Bonds8

About 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine

8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine (PubChem CID 146666166) has the molecular formula C66H54N2O2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine.

Molecular Properties

Compound Name8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine
PubChem CID146666166
Molecular FormulaC66H54N2O2
Molecular Weight907.17 g/mol
Exact Mass906.42
IUPAC Name8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4cc5oc6c(N(c7ccc(-c8ccccc8)cc7)c7ccc(C(C)(C)C)cc7)cccc6c5cc4cc23)cc1
InChIInChI=1S/C66H54N2O2/c1-65(2,3)49-27-35-53(36-28-49)67(51-31-23-45(24-32-51)43-15-9-7-10-16-43)59-21-13-19-55-57-39-47-40-58-56-20-14-22-60(64(56)70-62(58)42-48(47)41-61(57)69-63(55)59)68(54-37-29-50(30-38-54)66(4,5)6)52-33-25-46(26-34-52)44-17-11-8-12-18-44/h7-42H,1-6H3
InChIKeyYDZYZLLGLDZCOW-UHFFFAOYSA-N
XLogP19.51
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine with MolForge

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Related Compounds

N-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753134
7-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-17-N-(2-phenylphenyl)-17-N-(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753229
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753193
14-tert-butyl-6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,6-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
CID 159265747
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433063
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293

Frequently Asked Questions

What is the IUPAC name of 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine?
The IUPAC name of 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine (CID 146666166) is 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine.
What is the SMILES notation for 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine?
The canonical SMILES for 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2cc4cc5oc6c(N(c7ccc(-c8ccccc8)cc7)c7ccc(C(C)(C)C)cc7)cccc6c5cc4cc23)cc1.
What is the InChIKey of 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine?
The InChIKey is YDZYZLLGLDZCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2O2/c1-65(2,3)49-27-35-53(36-28-49)67(51-31-23-45(24-32-51)43-15-9-7-10-16-43)59-21-13-19-55-57-39-47-40-58-56-20-14-22-60(64(56)70-62(58)42-48(47)41-61(57)69-63(55)59)68(54-37-29-50(30-38-54)66(4,5)6)52-33-25-46(26-34-52)44-17-11-8-12-18-44/h7-42H,1-6H3.
What are the key properties of 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine?
8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine has a molecular weight of 907.17 g/mol, XLogP of 19.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine is sourced from PubChem (CID 146666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).