11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

C64H40N2O4 — CID 155360854

IUPAC11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
SMILESCc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4cc5oc6cc(N(c7ccc(C)cc7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5cc4c3c3ccccc23)cc1
InChIInChI=1S/C64H40N2O4/c1-37-19-23-39(24-20-37)65(41-27-29-57-49(31-41)45-13-7-9-17-55(45)67-57)53-34-61-63(47-15-5-3-11-43(47)53)51-33-52-60(36-59(51)69-61)70-62-35-54(44-12-4-6-16-48(44)64(52)62)66(40-25-21-38(2)22-26-40)42-28-30-58-50(32-42)46-14-8-10-18-56(46)68-58/h3-36H,1-2H3
InChIKeyFRIIFTUZHKGTBE-UHFFFAOYSA-N
MW901.03 g/mol
LogP19.15
Rot. Bonds6

About 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (PubChem CID 155360854) has the molecular formula C64H40N2O4 and a molecular weight of 901.03 g/mol. Its IUPAC name is 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

Molecular Properties

Compound Name11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
PubChem CID155360854
Molecular FormulaC64H40N2O4
Molecular Weight901.03 g/mol
Exact Mass900.30
IUPAC Name11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
SMILESCc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4cc5oc6cc(N(c7ccc(C)cc7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5cc4c3c3ccccc23)cc1
InChIInChI=1S/C64H40N2O4/c1-37-19-23-39(24-20-37)65(41-27-29-57-49(31-41)45-13-7-9-17-55(45)67-57)53-34-61-63(47-15-5-3-11-43(47)53)51-33-52-60(36-59(51)69-61)70-62-35-54(44-12-4-6-16-48(44)64(52)62)66(40-25-21-38(2)22-26-40)42-28-30-58-50(32-42)46-14-8-10-18-56(46)68-58/h3-36H,1-2H3
InChIKeyFRIIFTUZHKGTBE-UHFFFAOYSA-N
XLogP19.15
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.03
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine with MolForge

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Related Compounds

10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155361809
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
10-N,21-N-di(dibenzofuran-2-yl)-10-N,21-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 155360937
11-N,11-N,21-N,21-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360667
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387466
N-(3-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262879
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
11-N,21-N-bis(1,3-benzodioxol-5-yl)-11-N,21-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155359480
6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360251
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
1-N,6-N-di(dibenzofuran-2-yl)-3,8-dimethyl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58461968

Frequently Asked Questions

What is the IUPAC name of 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?
The IUPAC name of 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (CID 155360854) is 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.
What is the SMILES notation for 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?
The canonical SMILES for 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4cc5oc6cc(N(c7ccc(C)cc7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.
What is the InChIKey of 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?
The InChIKey is FRIIFTUZHKGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O4/c1-37-19-23-39(24-20-37)65(41-27-29-57-49(31-41)45-13-7-9-17-55(45)67-57)53-34-61-63(47-15-5-3-11-43(47)53)51-33-52-60(36-59(51)69-61)70-62-35-54(44-12-4-6-16-48(44)64(52)62)66(40-25-21-38(2)22-26-40)42-28-30-58-50(32-42)46-14-8-10-18-56(46)68-58/h3-36H,1-2H3.
What are the key properties of 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?
11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine has a molecular weight of 901.03 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is sourced from PubChem (CID 155360854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).