9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C82H48N2O4 — CID 171728913

IUPAC9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESc1ccc(-c2c(N(c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccc9ccccc9c8-c8ccccc8)c8cccc9c8oc8ccccc89)ccc7cc6c4cc35)c3cccc4c3oc3ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C82H48N2O4/c1-3-19-51(20-4-1)79-59-23-9-7-17-49(59)35-39-69(79)83(71-29-15-27-63-61-25-11-13-31-73(61)87-81(63)71)57-37-33-53-43-65-67-47-68-66-44-54-34-38-58(42-56(54)46-76(66)86-78(68)48-77(67)85-75(65)45-55(53)41-57)84(72-30-16-28-64-62-26-12-14-32-74(62)88-82(64)72)70-40-36-50-18-8-10-24-60(50)80(70)52-21-5-2-6-22-52/h1-48H
InChIKeyZEHLZPZCUBQRGF-UHFFFAOYSA-N
MW1125.30 g/mol
LogP24.17
Rot. Bonds8

About 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 171728913) has the molecular formula C82H48N2O4 and a molecular weight of 1125.30 g/mol. Its IUPAC name is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
PubChem CID171728913
Molecular FormulaC82H48N2O4
Molecular Weight1125.30 g/mol
Exact Mass1124.36
IUPAC Name9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESc1ccc(-c2c(N(c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccc9ccccc9c8-c8ccccc8)c8cccc9c8oc8ccccc89)ccc7cc6c4cc35)c3cccc4c3oc3ccccc34)ccc3ccccc23)cc1
InChIInChI=1S/C82H48N2O4/c1-3-19-51(20-4-1)79-59-23-9-7-17-49(59)35-39-69(79)83(71-29-15-27-63-61-25-11-13-31-73(61)87-81(63)71)57-37-33-53-43-65-67-47-68-66-44-54-34-38-58(42-56(54)46-76(66)86-78(68)48-77(67)85-75(65)45-55(53)41-57)84(72-30-16-28-64-62-26-12-14-32-74(62)88-82(64)72)70-40-36-50-18-8-10-24-60(50)80(70)52-21-5-2-6-22-52/h1-48H
InChIKeyZEHLZPZCUBQRGF-UHFFFAOYSA-N
XLogP24.17
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.30
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine with MolForge

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Related Compounds

9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 171729166
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-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 171728091
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N,2,16-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360798
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-di(dibenzofuran-4-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362763
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
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359681
8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 153201678

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 171728913) is 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is c1ccc(-c2c(N(c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccc9ccccc9c8-c8ccccc8)c8cccc9c8oc8ccccc89)ccc7cc6c4cc35)c3cccc4c3oc3ccccc34)ccc3ccccc23)cc1.
What is the InChIKey of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is ZEHLZPZCUBQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2O4/c1-3-19-51(20-4-1)79-59-23-9-7-17-49(59)35-39-69(79)83(71-29-15-27-63-61-25-11-13-31-73(61)87-81(63)71)57-37-33-53-43-65-67-47-68-66-44-54-34-38-58(42-56(54)46-76(66)86-78(68)48-77(67)85-75(65)45-55(53)41-57)84(72-30-16-28-64-62-26-12-14-32-74(62)88-82(64)72)70-40-36-50-18-8-10-24-60(50)80(70)52-21-5-2-6-22-52/h1-48H.
What are the key properties of 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 1125.30 g/mol, XLogP of 24.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(1-phenylnaphthalen-2-yl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 171728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).