3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine

C58H47NO2 — CID 176821740

IUPAC3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1ccc2c(c1)oc1cc3c(cc12)-c1cccc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)c1C3(C)C
InChIInChI=1S/C58H47NO2/c1-56(2,3)35-24-28-42-46-32-45-43-17-13-20-50(54(43)58(6,7)49(45)33-53(46)60-52(42)30-35)59(37-27-29-40-39-14-8-10-19-47(39)57(4,5)48(40)31-37)36-25-22-34(23-26-36)38-16-12-18-44-41-15-9-11-21-51(41)61-55(38)44/h8-33H,1-7H3
InChIKeyHZWDAWKAEVEJLT-UHFFFAOYSA-N
MW790.02 g/mol
LogP16.53
Rot. Bonds4

About 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine

3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine (PubChem CID 176821740) has the molecular formula C58H47NO2 and a molecular weight of 790.02 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
PubChem CID176821740
Molecular FormulaC58H47NO2
Molecular Weight790.02 g/mol
Exact Mass789.36
IUPAC Name3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1ccc2c(c1)oc1cc3c(cc12)-c1cccc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)c1C3(C)C
InChIInChI=1S/C58H47NO2/c1-56(2,3)35-24-28-42-46-32-45-43-17-13-20-50(54(43)58(6,7)49(45)33-53(46)60-52(42)30-35)59(37-27-29-40-39-14-8-10-19-47(39)57(4,5)48(40)31-37)36-25-22-34(23-26-36)38-16-12-18-44-41-15-9-11-21-51(41)61-55(38)44/h8-33H,1-7H3
InChIKeyHZWDAWKAEVEJLT-UHFFFAOYSA-N
XLogP16.53
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine with MolForge

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Related Compounds

3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
CID 176821802
8,10-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[1,2-b][1]benzothiol-1-amine
CID 176821739
2-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-amine
CID 176822062
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]fluoren-1-amine
CID 170667882
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
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
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine?
The IUPAC name of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine (CID 176821740) is 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine.
What is the SMILES notation for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine?
The canonical SMILES for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine is CC(C)(C)c1ccc2c(c1)oc1cc3c(cc12)-c1cccc(N(c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)c1C3(C)C.
What is the InChIKey of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine?
The InChIKey is HZWDAWKAEVEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47NO2/c1-56(2,3)35-24-28-42-46-32-45-43-17-13-20-50(54(43)58(6,7)49(45)33-53(46)60-52(42)30-35)59(37-27-29-40-39-14-8-10-19-47(39)57(4,5)48(40)31-37)36-25-22-34(23-26-36)38-16-12-18-44-41-15-9-11-21-51(41)61-55(38)44/h8-33H,1-7H3.
What are the key properties of 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine?
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine has a molecular weight of 790.02 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[7,6-b][1]benzofuran-8-amine is sourced from PubChem (CID 176821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).