5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine

C81H68N2O2Si — CID 162060019

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc45)c4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C81H68N2O2Si/c1-79(2,3)53-38-42-55(43-39-53)82(71-35-22-33-65-63-31-20-21-37-74(63)84-77(65)71)57-46-48-67-69(50-57)81(7,8)70-52-73(62-30-18-19-32-64(62)76(67)70)83(56-44-40-54(41-45-56)80(4,5)6)72-36-23-34-66-68-51-61(47-49-75(68)85-78(66)72)86(58-24-12-9-13-25-58,59-26-14-10-15-27-59)60-28-16-11-17-29-60/h9-52H,1-8H3
InChIKeyVWFNVSMYNPYQAR-UHFFFAOYSA-N
MW1129.53 g/mol
LogP19.86
Rot. Bonds10

About 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine (PubChem CID 162060019) has the molecular formula C81H68N2O2Si and a molecular weight of 1129.53 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
PubChem CID162060019
Molecular FormulaC81H68N2O2Si
Molecular Weight1129.53 g/mol
Exact Mass1128.51
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc45)c4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C81H68N2O2Si/c1-79(2,3)53-38-42-55(43-39-53)82(71-35-22-33-65-63-31-20-21-37-74(63)84-77(65)71)57-46-48-67-69(50-57)81(7,8)70-52-73(62-30-18-19-32-64(62)76(67)70)83(56-44-40-54(41-45-56)80(4,5)6)72-36-23-34-66-68-51-61(47-49-75(68)85-78(66)72)86(58-24-12-9-13-25-58,59-26-14-10-15-27-59)60-28-16-11-17-29-60/h9-52H,1-8H3
InChIKeyVWFNVSMYNPYQAR-UHFFFAOYSA-N
XLogP19.86
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.53
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine
CID 159238258
9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
CID 140758762
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethyl-20-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633662
9-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-bis[4-(trifluoromethyl)phenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-9,17-diamine
CID 90142431
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883040
5-N,16-N-bis(4-tert-butylphenyl)-5-N,16-N-di(dibenzofuran-4-yl)-8,8-dimethylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633429
7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550503
5-N-dibenzofuran-4-yl-7,7-dimethyl-9-N-naphthalen-1-yl-9-N-phenyl-5-N-(3-prop-2-enylphenyl)benzo[c]fluorene-5,9-diamine
CID 144613044
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
12-N,22-N-di(dibenzofuran-4-yl)-15,15,19,19-tetramethyl-12-N,22-N-diphenyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2,5,7,9,11,13,17,20(25),21,23,26-dodecaene-12,22-diamine
CID 142355705

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine (CID 162060019) is 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5c4oc4ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc45)c4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
The InChIKey is VWFNVSMYNPYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N2O2Si/c1-79(2,3)53-38-42-55(43-39-53)82(71-35-22-33-65-63-31-20-21-37-74(63)84-77(65)71)57-46-48-67-69(50-57)81(7,8)70-52-73(62-30-18-19-32-64(62)76(67)70)83(56-44-40-54(41-45-56)80(4,5)6)72-36-23-34-66-68-51-61(47-49-75(68)85-78(66)72)86(58-24-12-9-13-25-58,59-26-14-10-15-27-59)60-28-16-11-17-29-60/h9-52H,1-8H3.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine?
5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1129.53 g/mol, XLogP of 19.86, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-9-N-dibenzofuran-4-yl-7,7-dimethyl-5-N-(8-triphenylsilyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 162060019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).