9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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

C77H50N2O4 — CID 155361243

IUPAC9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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
SMILESCC(C)c1c2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c12
InChIInChI=1S/C77H50N2O4/c1-46(2)71-72-65-42-50-36-38-56(79(54-25-13-6-14-26-54)67-34-18-32-62-60-30-16-28-58(74(60)83-76(62)67)48-21-9-4-10-22-48)40-52(50)44-69(65)80-70(72)45-64-63-41-49-35-37-55(39-51(49)43-68(63)81-77(64)71)78(53-23-11-5-12-24-53)66-33-17-31-61-59-29-15-27-57(73(59)82-75(61)66)47-19-7-3-8-20-47/h3-46H,1-2H3
InChIKeyHKFRBTCKYJHEDY-UHFFFAOYSA-N
MW1067.26 g/mol
LogP22.99
Rot. Bonds9

About 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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

9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 (PubChem CID 155361243) has the molecular formula C77H50N2O4 and a molecular weight of 1067.26 g/mol. Its IUPAC name is 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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.

Molecular Properties

Compound Name9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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
PubChem CID155361243
Molecular FormulaC77H50N2O4
Molecular Weight1067.26 g/mol
Exact Mass1066.38
IUPAC Name9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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
SMILESCC(C)c1c2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c12
InChIInChI=1S/C77H50N2O4/c1-46(2)71-72-65-42-50-36-38-56(79(54-25-13-6-14-26-54)67-34-18-32-62-60-30-16-28-58(74(60)83-76(62)67)48-21-9-4-10-22-48)40-52(50)44-69(65)80-70(72)45-64-63-41-49-35-37-55(39-51(49)43-68(63)81-77(64)71)78(53-23-11-5-12-24-53)66-33-17-31-61-59-29-15-27-57(73(59)82-75(61)66)47-19-7-3-8-20-47/h3-46H,1-2H3
InChIKeyHKFRBTCKYJHEDY-UHFFFAOYSA-N
XLogP22.99
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.26
LogP ≤ 522.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 with MolForge

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Related Compounds

9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-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 155362515
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(3-methyl-6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 155360772
9-N,23-N-bis(2-methylphenyl)-2-phenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-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 155361821
9-N,23-N-bis(2,6-dimethylphenyl)-2-methyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-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 155360211
9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-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 155362324
9,23-bis(N-(6-phenyldibenzofuran-4-yl)anilino)-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-16-carbonitrile
CID 155362873
9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-2-propan-2-yl-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 155362426
6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-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-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-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-6,18-diamine;6-N,18-N-bis(4-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-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-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(6-phenyldibenzofuran-4-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-6,18-diamine
CID 160711272
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
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
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-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 155361206
N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
CID 171050124

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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?
The IUPAC name of 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 155361243) is 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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.
What is the SMILES notation for 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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?
The canonical SMILES for 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 is CC(C)c1c2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4cc3c12.
What is the InChIKey of 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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?
The InChIKey is HKFRBTCKYJHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H50N2O4/c1-46(2)71-72-65-42-50-36-38-56(79(54-25-13-6-14-26-54)67-34-18-32-62-60-30-16-28-58(74(60)83-76(62)67)48-21-9-4-10-22-48)40-52(50)44-69(65)80-70(72)45-64-63-41-49-35-37-55(39-51(49)43-68(63)81-77(64)71)78(53-23-11-5-12-24-53)66-33-17-31-61-59-29-15-27-57(73(59)82-75(61)66)47-19-7-3-8-20-47/h3-46H,1-2H3.
What are the key properties of 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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?
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 has a molecular weight of 1067.26 g/mol, XLogP of 22.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-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 is sourced from PubChem (CID 155361243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).