25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

C73H62N2O2 — CID 121431025

IUPAC25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(C(C)(C)C)(C(C)(C)C)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5oc5c(CC)cccc56)ccc34)cccc12
InChIInChI=1S/C73H62N2O2/c1-9-45-23-19-31-56-58-33-21-35-63(69(58)76-67(45)56)74(49-25-13-11-14-26-49)51-38-37-47-42-61-62(43-48(47)41-51)73(71(3,4)5,72(6,7)8)66-55-40-39-52(44-60(55)53-29-17-18-30-54(53)65(61)66)75(50-27-15-12-16-28-50)64-36-22-34-59-57-32-20-24-46(10-2)68(57)77-70(59)64/h11-44H,9-10H2,1-8H3
InChIKeyWTRWPIDAIDILNZ-UHFFFAOYSA-N
MW999.31 g/mol
LogP21.37
Rot. Bonds8

About 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine

25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (PubChem CID 121431025) has the molecular formula C73H62N2O2 and a molecular weight of 999.31 g/mol. Its IUPAC name is 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.

Molecular Properties

Compound Name25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
PubChem CID121431025
Molecular FormulaC73H62N2O2
Molecular Weight999.31 g/mol
Exact Mass998.48
IUPAC Name25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
SMILESCCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(C(C)(C)C)(C(C)(C)C)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5oc5c(CC)cccc56)ccc34)cccc12
InChIInChI=1S/C73H62N2O2/c1-9-45-23-19-31-56-58-33-21-35-63(69(58)76-67(45)56)74(49-25-13-11-14-26-49)51-38-37-47-42-61-62(43-48(47)41-51)73(71(3,4)5,72(6,7)8)66-55-40-39-52(44-60(55)53-29-17-18-30-54(53)65(61)66)75(50-27-15-12-16-28-50)64-36-22-34-59-57-32-20-24-46(10-2)68(57)77-70(59)64/h11-44H,9-10H2,1-8H3
InChIKeyWTRWPIDAIDILNZ-UHFFFAOYSA-N
XLogP21.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.31
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine with MolForge

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Related Compounds

25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-2-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121431018
4-(N-[25,25-ditert-butyl-5-(N-(4-cyanophenyl)anilino)-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaenyl]anilino)benzonitrile
CID 121432594
25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(3-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-phenylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine;25,25-ditert-butyl-5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-propan-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 158896691
25,25-ditert-butyl-5-N,20-N-di(dibenzothiophen-2-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121431022
25,25-ditert-butyl-5-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431347
25,25-ditert-butyl-20-N-(3-methylphenyl)-5-N,20-N-diphenyl-5-N-(3-trimethylsilylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 158718253
7-N',17-N'-bis(6-ethyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[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;7-N',17-N'-bis(6-methyldibenzofuran-4-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[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 160873998
6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
CID 145353357
25,25-ditert-butyl-5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430777
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(4-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 140725512
6-tert-butyl-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140228
5-N'-(2-methylphenyl)-5-N',20-N'-diphenyl-20-N'-(2-trimethylsilylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',20'-diamine
CID 158003093

Frequently Asked Questions

What is the IUPAC name of 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The IUPAC name of 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine (CID 121431025) is 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine.
What is the SMILES notation for 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The canonical SMILES for 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is CCc1cccc2c1oc1c(N(c3ccccc3)c3ccc4cc5c(cc4c3)C(C(C)(C)C)(C(C)(C)C)c3c-5c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5oc5c(CC)cccc56)ccc34)cccc12.
What is the InChIKey of 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
The InChIKey is WTRWPIDAIDILNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H62N2O2/c1-9-45-23-19-31-56-58-33-21-35-63(69(58)76-67(45)56)74(49-25-13-11-14-26-49)51-38-37-47-42-61-62(43-48(47)41-51)73(71(3,4)5,72(6,7)8)66-55-40-39-52(44-60(55)53-29-17-18-30-54(53)65(61)66)75(50-27-15-12-16-28-50)64-36-22-34-59-57-32-20-24-46(10-2)68(57)77-70(59)64/h11-44H,9-10H2,1-8H3.
What are the key properties of 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine?
25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine has a molecular weight of 999.31 g/mol, XLogP of 21.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-ditert-butyl-5-N,20-N-bis(6-ethyldibenzofuran-4-yl)-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine is sourced from PubChem (CID 121431025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).