N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine

C59H43NO — CID 129130259

IUPACN-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H43NO/c1-58(2,3)41-31-33-42(34-32-41)60(52-35-30-40(38-18-6-4-7-19-38)36-47(52)39-20-8-5-9-21-39)53-37-51-55(57-56(53)46-25-13-17-29-54(46)61-57)45-24-12-16-28-50(45)59(51)48-26-14-10-22-43(48)44-23-11-15-27-49(44)59/h4-37H,1-3H3
InChIKeyTWFIDSALBPRNQQ-UHFFFAOYSA-N
MW782.00 g/mol
LogP16.03
Rot. Bonds5

About N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine

N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine (PubChem CID 129130259) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
PubChem CID129130259
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC NameN-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H43NO/c1-58(2,3)41-31-33-42(34-32-41)60(52-35-30-40(38-18-6-4-7-19-38)36-47(52)39-20-8-5-9-21-39)53-37-51-55(57-56(53)46-25-13-17-29-54(46)61-57)45-24-12-16-28-50(45)59(51)48-26-14-10-22-43(48)44-23-11-15-27-49(44)59/h4-37H,1-3H3
InChIKeyTWFIDSALBPRNQQ-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine 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

N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)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]-15-amine
CID 129130281
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
12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[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;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[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 163642963
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'-(4-phenylcyclohexa-1,5-dien-1-yl)-9-N'-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632927
2'-tert-butyl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 167056821
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3-amine
CID 121444454
12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[26-oxa-10-thiaheptacyclo[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 171732031
5-N',9-N'-bis(4-tert-butylphenyl)-2,7-bis[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-5-N',9-N'-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;methane
CID 161250975
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine (CID 129130259) is N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2-c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine?
The InChIKey is TWFIDSALBPRNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-58(2,3)41-31-33-42(34-32-41)60(52-35-30-40(38-18-6-4-7-19-38)36-47(52)39-20-8-5-9-21-39)53-37-51-55(57-56(53)46-25-13-17-29-54(46)61-57)45-24-12-16-28-50(45)59(51)48-26-14-10-22-43(48)44-23-11-15-27-49(44)59/h4-37H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine?
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine has a molecular weight of 782.00 g/mol, XLogP of 16.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine is sourced from PubChem (CID 129130259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).