7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine

C74H54N2O4 — CID 146666105

IUPAC7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc8c(c7)oc7ccc9ccccc9c78)ccc6c5cc4cc23)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C74H54N2O4/c1-73(2,3)47-17-21-49(22-18-47)75(53-27-31-59-69(41-53)77-63-33-15-43-11-7-9-13-55(43)71(59)63)51-25-29-57-61-35-45-36-62-58-30-26-52(40-68(58)80-66(62)38-46(45)37-65(61)79-67(57)39-51)76(50-23-19-48(20-24-50)74(4,5)6)54-28-32-60-70(42-54)78-64-34-16-44-12-8-10-14-56(44)72(60)64/h7-42H,1-6H3
InChIKeyCHCIZQFRAJHVKX-UHFFFAOYSA-N
MW1035.26 g/mol
LogP22.28
Rot. Bonds6

About 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine

7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine (PubChem CID 146666105) has the molecular formula C74H54N2O4 and a molecular weight of 1035.26 g/mol. Its IUPAC name is 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine
PubChem CID146666105
Molecular FormulaC74H54N2O4
Molecular Weight1035.26 g/mol
Exact Mass1034.41
IUPAC Name7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc8c(c7)oc7ccc9ccccc9c78)ccc6c5cc4cc23)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C74H54N2O4/c1-73(2,3)47-17-21-49(22-18-47)75(53-27-31-59-69(41-53)77-63-33-15-43-11-7-9-13-55(43)71(59)63)51-25-29-57-61-35-45-36-62-58-30-26-52(40-68(58)80-66(62)38-46(45)37-65(61)79-67(57)39-51)76(50-23-19-48(20-24-50)74(4,5)6)54-28-32-60-70(42-54)78-64-34-16-44-12-8-10-14-56(44)72(60)64/h7-42H,1-6H3
InChIKeyCHCIZQFRAJHVKX-UHFFFAOYSA-N
XLogP22.28
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.26
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine with MolForge

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Related Compounds

7-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-7,19-diamine
CID 155007853
7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 158443278
7-N,7-N,17-N,17-N-tetrakis(4-tert-butylphenyl)-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 146497236
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 168802218
7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
CID 158493621
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 146497089
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzofuran-3-yl)-4-methylnaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574656
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-bis(1-phenyldibenzofuran-2-yl)-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 171728710

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine?
The IUPAC name of 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine (CID 146666105) is 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)(C)C)cc7)c7ccc8c(c7)oc7ccc9ccccc9c78)ccc6c5cc4cc23)c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.
What is the InChIKey of 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine?
The InChIKey is CHCIZQFRAJHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N2O4/c1-73(2,3)47-17-21-49(22-18-47)75(53-27-31-59-69(41-53)77-63-33-15-43-11-7-9-13-55(43)71(59)63)51-25-29-57-61-35-45-36-62-58-30-26-52(40-68(58)80-66(62)38-46(45)37-65(61)79-67(57)39-51)76(50-23-19-48(20-24-50)74(4,5)6)54-28-32-60-70(42-54)78-64-34-16-44-12-8-10-14-56(44)72(60)64/h7-42H,1-6H3.
What are the key properties of 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine?
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine has a molecular weight of 1035.26 g/mol, XLogP of 22.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-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-7,19-diamine is sourced from PubChem (CID 146666105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).