N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

C64H41NO2 — CID 171050244

IUPACN-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C64H41NO2/c1-63(2)52-22-10-6-17-43(52)47-30-27-40(34-56(47)63)65(41-28-31-48-46-20-9-13-25-55(46)64(57(48)35-41)53-23-11-7-18-44(53)45-19-8-12-24-54(45)64)39-29-32-58-49(33-39)50-36-61-51(37-60(50)66-58)62-42(21-14-26-59(62)67-61)38-15-4-3-5-16-38/h3-37H,1-2H3
InChIKeyDEPXZRSFICYYMY-UHFFFAOYSA-N
MW856.04 g/mol
LogP17.27
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (PubChem CID 171050244) has the molecular formula C64H41NO2 and a molecular weight of 856.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
PubChem CID171050244
Molecular FormulaC64H41NO2
Molecular Weight856.04 g/mol
Exact Mass855.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C64H41NO2/c1-63(2)52-22-10-6-17-43(52)47-30-27-40(34-56(47)63)65(41-28-31-48-46-20-9-13-25-55(46)64(57(48)35-41)53-23-11-7-18-44(53)45-19-8-12-24-54(45)64)39-29-32-58-49(33-39)50-36-61-51(37-60(50)66-58)62-42(21-14-26-59(62)67-61)38-15-4-3-5-16-38/h3-37H,1-2H3
InChIKeyDEPXZRSFICYYMY-UHFFFAOYSA-N
XLogP17.27
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050049
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463065
N-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050022
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050430
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050271
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine;N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 162006109

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (CID 171050244) is N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The InChIKey is DEPXZRSFICYYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO2/c1-63(2)52-22-10-6-17-43(52)47-30-27-40(34-56(47)63)65(41-28-31-48-46-20-9-13-25-55(46)64(57(48)35-41)53-23-11-7-18-44(53)45-19-8-12-24-54(45)64)39-29-32-58-49(33-39)50-36-61-51(37-60(50)66-58)62-42(21-14-26-59(62)67-61)38-15-4-3-5-16-38/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine has a molecular weight of 856.04 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 171050244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).