8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

C68H38N2O5 — CID 165046375

IUPAC8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1
InChIInChI=1S/C68H38N2O5/c1-3-15-45-39(11-1)13-9-19-57(45)69(41-23-27-49-47-17-5-7-21-59(47)71-61(49)31-41)43-25-29-51-53-35-67-55(37-65(53)73-63(51)33-43)56-38-66-54(36-68(56)75-67)52-30-26-44(34-64(52)74-66)70(58-20-10-14-40-12-2-4-16-46(40)58)42-24-28-50-48-18-6-8-22-60(48)72-62(50)32-42/h1-38H
InChIKeyOYVMTCJWARZKED-UHFFFAOYSA-N
MW963.06 g/mol
LogP20.43
Rot. Bonds6

About 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (PubChem CID 165046375) has the molecular formula C68H38N2O5 and a molecular weight of 963.06 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.

Molecular Properties

Compound Name8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
PubChem CID165046375
Molecular FormulaC68H38N2O5
Molecular Weight963.06 g/mol
Exact Mass962.28
IUPAC Name8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1
InChIInChI=1S/C68H38N2O5/c1-3-15-45-39(11-1)13-9-19-57(45)69(41-23-27-49-47-17-5-7-21-59(47)71-61(49)31-41)43-25-29-51-53-35-67-55(37-65(53)73-63(51)33-43)56-38-66-54(36-68(56)75-67)52-30-26-44(34-64(52)74-66)70(58-20-10-14-40-12-2-4-16-46(40)58)42-24-28-50-48-18-6-8-22-60(48)72-62(50)32-42/h1-38H
InChIKeyOYVMTCJWARZKED-UHFFFAOYSA-N
XLogP20.43
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.06
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 131980093
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 76808524
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 167413042
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The IUPAC name of 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (CID 165046375) is 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.
What is the SMILES notation for 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The canonical SMILES for 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is c1ccc2c(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc34)cccc2c1.
What is the InChIKey of 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
The InChIKey is OYVMTCJWARZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N2O5/c1-3-15-45-39(11-1)13-9-19-57(45)69(41-23-27-49-47-17-5-7-21-59(47)71-61(49)31-41)43-25-29-51-53-35-67-55(37-65(53)73-63(51)33-43)56-38-66-54(36-68(56)75-67)52-30-26-44(34-64(52)74-66)70(58-20-10-14-40-12-2-4-16-46(40)58)42-24-28-50-48-18-6-8-22-60(48)72-62(50)32-42/h1-38H.
What are the key properties of 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine has a molecular weight of 963.06 g/mol, XLogP of 20.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is sourced from PubChem (CID 165046375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).