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

C66H58N2O — CID 165053097

IUPAC5-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
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc(C)c4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C66H58N2O/c1-41-22-28-47(29-23-41)68(48-32-26-45(27-33-48)65(7,8)9)59-40-58-61(63-62(59)54-18-12-15-21-60(54)69-63)53-35-34-49(39-57(53)66(58)55-19-13-10-16-51(55)52-17-11-14-20-56(52)66)67(50-37-42(2)36-43(3)38-50)46-30-24-44(25-31-46)64(4,5)6/h10-40H,1-9H3
InChIKeyIDCKFCXWNKJMNQ-UHFFFAOYSA-N
MW895.20 g/mol
LogP18.39
Rot. Bonds6

About 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

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 (PubChem CID 165053097) has the molecular formula C66H58N2O and a molecular weight of 895.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165053097
Molecular FormulaC66H58N2O
Molecular Weight895.20 g/mol
Exact Mass894.45
IUPAC Name5-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
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc(C)c4)cc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C66H58N2O/c1-41-22-28-47(29-23-41)68(48-32-26-45(27-33-48)65(7,8)9)59-40-58-61(63-62(59)54-18-12-15-21-60(54)69-63)53-35-34-49(39-57(53)66(58)55-19-13-10-16-51(55)52-17-11-14-20-56(52)66)67(50-37-42(2)36-43(3)38-50)46-30-24-44(25-31-46)64(4,5)6/h10-40H,1-9H3
InChIKeyIDCKFCXWNKJMNQ-UHFFFAOYSA-N
XLogP18.39
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.20
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis[4-(2-fluorophenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-11,17-diamine
CID 126632935
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
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)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130259
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
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
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4cc(C)cc(C)c4)cc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is IDCKFCXWNKJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58N2O/c1-41-22-28-47(29-23-41)68(48-32-26-45(27-33-48)65(7,8)9)59-40-58-61(63-62(59)54-18-12-15-21-60(54)69-63)53-35-34-49(39-57(53)66(58)55-19-13-10-16-51(55)52-17-11-14-20-56(52)66)67(50-37-42(2)36-43(3)38-50)46-30-24-44(25-31-46)64(4,5)6/h10-40H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 895.20 g/mol, XLogP of 18.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165053097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).