12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

C67H56N2O2 — CID 90140243

IUPAC12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
SMILESCc1ccccc1N(c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4C)c4cccc5c4oc4ccccc45)ccc2c1C3(C(C)(C)C)C(C)(C)C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C67H56N2O2/c1-41-19-9-13-25-55(41)68(57-27-17-23-53-49-21-11-15-29-59(49)70-63(53)57)45-33-37-47-43(39-45)31-35-51-52-36-32-44-40-46(34-38-48(44)62(52)67(61(47)51,65(3,4)5)66(6,7)8)69(56-26-14-10-20-42(56)2)58-28-18-24-54-50-22-12-16-30-60(50)71-64(54)58/h9-40H,1-8H3
InChIKeyHSRMICBJHTXIEF-UHFFFAOYSA-N
MW921.20 g/mol
LogP19.71
Rot. Bonds6

About 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (PubChem CID 90140243) has the molecular formula C67H56N2O2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.

Molecular Properties

Compound Name12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
PubChem CID90140243
Molecular FormulaC67H56N2O2
Molecular Weight921.20 g/mol
Exact Mass920.43
IUPAC Name12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
SMILESCc1ccccc1N(c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4C)c4cccc5c4oc4ccccc45)ccc2c1C3(C(C)(C)C)C(C)(C)C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C67H56N2O2/c1-41-19-9-13-25-55(41)68(57-27-17-23-53-49-21-11-15-29-59(49)70-63(53)57)45-33-37-47-43(39-45)31-35-51-52-36-32-44-40-46(34-38-48(44)62(52)67(61(47)51,65(3,4)5)66(6,7)8)69(56-26-14-10-20-42(56)2)58-28-18-24-54-50-22-12-16-30-60(50)71-64(54)58/h9-40H,1-8H3
InChIKeyHSRMICBJHTXIEF-UHFFFAOYSA-N
XLogP19.71
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine with MolForge

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Related Compounds

5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[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 140725444
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 122578909
N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[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 158488076
N,N-bis(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)dibenzofuran-4-amine
CID 121431599
3,6-ditert-butyl-7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494594
2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
CID 123258916
2-tert-butyl-9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(2-methylphenyl)-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 155360289
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 159414247
8-N,23-N-di(dibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 153201678
N-[16,17-bis(4-tert-butylphenyl)-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-(5-tert-butyl-2-methylphenyl)dibenzofuran-4-amine
CID 166032355

Frequently Asked Questions

What is the IUPAC name of 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The IUPAC name of 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (CID 90140243) is 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.
What is the SMILES notation for 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The canonical SMILES for 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is Cc1ccccc1N(c1ccc2c3c(ccc2c1)-c1ccc2cc(N(c4ccccc4C)c4cccc5c4oc4ccccc45)ccc2c1C3(C(C)(C)C)C(C)(C)C)c1cccc2c1oc1ccccc12.
What is the InChIKey of 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The InChIKey is HSRMICBJHTXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O2/c1-41-19-9-13-25-55(41)68(57-27-17-23-53-49-21-11-15-29-59(49)70-63(53)57)45-33-37-47-43(39-45)31-35-51-52-36-32-44-40-46(34-38-48(44)62(52)67(61(47)51,65(3,4)5)66(6,7)8)69(56-26-14-10-20-42(56)2)58-28-18-24-54-50-22-12-16-30-60(50)71-64(54)58/h9-40H,1-8H3.
What are the key properties of 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine has a molecular weight of 921.20 g/mol, XLogP of 19.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-ditert-butyl-7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(2-methylphenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is sourced from PubChem (CID 90140243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).