9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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

C72H48N2O4 — CID 155360996

IUPAC9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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
SMILESCc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C72H48N2O4/c1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50/h5-40H,1-4H3
InChIKeyDGNQBNXEQFPBQS-UHFFFAOYSA-N
MW1005.19 g/mol
LogP21.43
Rot. Bonds7

About 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 155360996) has the molecular formula C72H48N2O4 and a molecular weight of 1005.19 g/mol. Its IUPAC name is 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 CID155360996
Molecular FormulaC72H48N2O4
Molecular Weight1005.19 g/mol
Exact Mass1004.36
IUPAC Name9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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
SMILESCc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C72H48N2O4/c1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50/h5-40H,1-4H3
InChIKeyDGNQBNXEQFPBQS-UHFFFAOYSA-N
XLogP21.43
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.19
LogP ≤ 521.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-bis(3,5-dimethylphenyl)-9-N,23-N,2-triphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361228
9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-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 155361632
9-N,23-N-bis(2,6-dimethylphenyl)-16-phenyl-9-N,23-N-bis(4-phenylphenyl)-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 155362152
9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-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-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-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-2-yl)-16-methyl-9-N,23-N-diphenyl-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;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-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;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-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 158269460
N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
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
7-N,19-N-di(dibenzofuran-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
CID 148684754
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
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
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[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 166032207
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
9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-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 155361936

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 155360996) is 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 Cc1cc(C)cc(N(c2ccc3cc4c(cc3c2)oc2c(-c3ccccc3)c3oc5cc6cc(N(c7cc(C)cc(C)c7)c7ccc8oc9ccccc9c8c7)ccc6cc5c3cc24)c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 DGNQBNXEQFPBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2O4/c1-41-26-42(2)29-54(28-41)73(52-22-24-66-60(38-52)56-14-8-10-16-64(56)75-66)50-20-18-46-34-58-62-40-63-59-35-47-19-21-51(74(55-30-43(3)27-44(4)31-55)53-23-25-67-61(39-53)57-15-9-11-17-65(57)76-67)33-49(47)37-69(59)78-72(63)70(45-12-6-5-7-13-45)71(62)77-68(58)36-48(46)32-50/h5-40H,1-4H3.
What are the key properties of 9-N,23-N-di(dibenzofuran-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 1005.19 g/mol, XLogP of 21.43, 7 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-2-yl)-9-N,23-N-bis(3,5-dimethylphenyl)-16-phenyl-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 155360996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).