5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

C86H64N4O3 — CID 126632930

IUPAC5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCc1cnc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncccc4-c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C86H64N4O3/c1-51-47-68(64-29-19-27-62-60-24-11-16-34-75(60)92-80(62)64)83(88-50-51)89(54-40-36-52(37-41-54)84(2,3)4)56-44-45-66-71(48-56)86(69-31-13-8-21-57(69)58-22-9-14-32-70(58)86)72-49-73(78-67-25-12-17-35-76(67)93-81(78)77(66)72)90(55-42-38-53(39-43-55)85(5,6)7)82-65(30-20-46-87-82)63-28-18-26-61-59-23-10-15-33-74(59)91-79(61)63/h8-50H,1-7H3
InChIKeyNBARTIKZEGHRHS-UHFFFAOYSA-N
MW1201.48 g/mol
LogP23.70
Rot. Bonds8

About 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine

5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (PubChem CID 126632930) has the molecular formula C86H64N4O3 and a molecular weight of 1201.48 g/mol. Its IUPAC name is 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.

Molecular Properties

Compound Name5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
PubChem CID126632930
Molecular FormulaC86H64N4O3
Molecular Weight1201.48 g/mol
Exact Mass1200.50
IUPAC Name5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
SMILESCc1cnc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncccc4-c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C86H64N4O3/c1-51-47-68(64-29-19-27-62-60-24-11-16-34-75(60)92-80(62)64)83(88-50-51)89(54-40-36-52(37-41-54)84(2,3)4)56-44-45-66-71(48-56)86(69-31-13-8-21-57(69)58-22-9-14-32-70(58)86)72-49-73(78-67-25-12-17-35-76(67)93-81(78)77(66)72)90(55-42-38-53(39-43-55)85(5,6)7)82-65(30-20-46-87-82)63-28-18-26-61-59-23-10-15-33-74(59)91-79(61)63/h8-50H,1-7H3
InChIKeyNBARTIKZEGHRHS-UHFFFAOYSA-N
XLogP23.70
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.48
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-5-N-(5-methyl-3-phenyl-2-pyridinyl)-9-N-(3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 165062792
N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine
CID 129130297
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3,5-dimethylphenyl)-5-N'-(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 165053097
5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 157493728
12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-trimethylsilylphenyl)spiro[20-oxa-16-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-9,9'-fluorene]-6,12-diamine
CID 140764936
5-N,9-N-bis(4-tert-butylphenyl)-5',6',7',8'-tetradeuterio-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine;12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 158633808
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
5-N'-(4-tert-butyl-4-methylcyclohexa-1,5-dien-1-yl)-5-N',9-N',9-N'-tris(4-tert-butylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 131993049
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 160811020
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140764938
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782

Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The IUPAC name of 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine (CID 126632930) is 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine.
What is the SMILES notation for 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The canonical SMILES for 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is Cc1cnc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ncccc4-c4cccc5c4oc4ccccc45)c4c(oc5ccccc54)c2-3)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
The InChIKey is NBARTIKZEGHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H64N4O3/c1-51-47-68(64-29-19-27-62-60-24-11-16-34-75(60)92-80(62)64)83(88-50-51)89(54-40-36-52(37-41-54)84(2,3)4)56-44-45-66-71(48-56)86(69-31-13-8-21-57(69)58-22-9-14-32-70(58)86)72-49-73(78-67-25-12-17-35-76(67)93-81(78)77(66)72)90(55-42-38-53(39-43-55)85(5,6)7)82-65(30-20-46-87-82)63-28-18-26-61-59-23-10-15-33-74(59)91-79(61)63/h8-50H,1-7H3.
What are the key properties of 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine?
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine has a molecular weight of 1201.48 g/mol, XLogP of 23.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine is sourced from PubChem (CID 126632930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).