8-N,22-N-bis(9,9-dimethylfluoren-1-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

C74H50N2O3 — CID 165066594

IUPAC8-N,22-N-bis(9,9-dimethylfluoren-1-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
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5cccc6c5C(C)(C)c5ccccc5-6)c5cccc6ccccc56)ccc34)c3cccc4ccccc34)c21
InChIInChI=1S/C74H50N2O3/c1-73(2)59-27-11-9-23-49(59)53-25-15-31-63(71(53)73)75(61-29-13-19-43-17-5-7-21-47(43)61)45-33-35-51-55-39-69-57(41-67(55)77-65(51)37-45)58-42-68-56(40-70(58)79-69)52-36-34-46(38-66(52)78-68)76(62-30-14-20-44-18-6-8-22-48(44)62)64-32-16-26-54-50-24-10-12-28-60(50)74(3,4)72(54)64/h5-42H,1-4H3
InChIKeySBKDTXAIDMLGPL-UHFFFAOYSA-N
MW1015.22 g/mol
LogP21.24
Rot. Bonds6

About 8-N,22-N-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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 165066594) has the molecular formula C74H50N2O3 and a molecular weight of 1015.22 g/mol. Its IUPAC name is 8-N,22-N-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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 CID165066594
Molecular FormulaC74H50N2O3
Molecular Weight1015.22 g/mol
Exact Mass1014.38
IUPAC Name8-N,22-N-bis(9,9-dimethylfluoren-1-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
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5cccc6c5C(C)(C)c5ccccc5-6)c5cccc6ccccc56)ccc34)c3cccc4ccccc34)c21
InChIInChI=1S/C74H50N2O3/c1-73(2)59-27-11-9-23-49(59)53-25-15-31-63(71(53)73)75(61-29-13-19-43-17-5-7-21-47(43)61)45-33-35-51-55-39-69-57(41-67(55)77-65(51)37-45)58-42-68-56(40-70(58)79-69)52-36-34-46(38-66(52)78-68)76(62-30-14-20-44-18-6-8-22-48(44)62)64-32-16-26-54-50-24-10-12-28-60(50)74(3,4)72(54)64/h5-42H,1-4H3
InChIKeySBKDTXAIDMLGPL-UHFFFAOYSA-N
XLogP21.24
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.22
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-N,22-N-bis(9,9-dimethylfluoren-1-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-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167323880
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
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
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178
N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine
CID 171445644
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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 165066594) is 8-N,22-N-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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 CC1(C)c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3cc5c(cc34)oc3cc4c(cc35)oc3cc(N(c5cccc6c5C(C)(C)c5ccccc5-6)c5cccc6ccccc56)ccc34)c3cccc4ccccc34)c21.
What is the InChIKey of 8-N,22-N-bis(9,9-dimethylfluoren-1-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 SBKDTXAIDMLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2O3/c1-73(2)59-27-11-9-23-49(59)53-25-15-31-63(71(53)73)75(61-29-13-19-43-17-5-7-21-47(43)61)45-33-35-51-55-39-69-57(41-67(55)77-65(51)37-45)58-42-68-56(40-70(58)79-69)52-36-34-46(38-66(52)78-68)76(62-30-14-20-44-18-6-8-22-48(44)62)64-32-16-26-54-50-24-10-12-28-60(50)74(3,4)72(54)64/h5-42H,1-4H3.
What are the key properties of 8-N,22-N-bis(9,9-dimethylfluoren-1-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-bis(9,9-dimethylfluoren-1-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 1015.22 g/mol, XLogP of 21.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(9,9-dimethylfluoren-1-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 165066594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).