7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine

C244H188N8O8 — CID 159189385

IUPAC7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine
SMILESCC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)cc(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc(c1)c2c34.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3c(C)cc4cc(C(C)(C)C)cc1c4c23.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc(C)c4cc(C(C)(C)C)cc1c4c23
InChIInChI=1S/C64H44N2O2.C64H56N2O2.2C58H44N2O2/c1-64(2,3)43-36-41-28-32-48-54(65(44-18-6-4-7-19-44)52-26-14-24-50-59-46-22-12-10-16-39(46)30-34-56(59)67-62(50)52)38-55(49-33-29-42(37-43)58(41)61(48)49)66(45-20-8-5-9-21-45)53-27-15-25-51-60-47-23-13-11-17-40(47)31-35-57(60)68-63(51)53;1-62(2,3)41-36-39-32-34-48-54(65(42-20-12-10-13-21-42)52-30-18-26-46-44-24-16-28-50(63(4,5)6)58(44)67-60(46)52)38-55(49-35-33-40(37-41)56(39)57(48)49)66(43-22-14-11-15-23-43)53-31-19-27-47-45-25-17-29-51(64(7,8)9)59(45)68-61(47)53;1-35-31-46-49(59(39-18-8-6-9-19-39)47-26-16-24-43-41-22-12-14-28-51(41)61-56(43)47)34-50(53-36(2)30-37-32-38(58(3,4)5)33-45(35)54(37)55(46)53)60(40-20-10-7-11-21-40)48-27-17-25-44-42-23-13-15-29-52(42)62-57(44)48;1-35-30-46-50(59(38-18-8-6-9-19-38)48-26-16-24-42-40-22-12-14-28-52(40)61-56(42)48)34-51(47-31-36(2)45-33-37(58(3,4)5)32-44(35)54(45)55(46)47)60(39-20-10-7-11-21-39)49-27-17-25-43-41-23-13-15-29-53(41)62-57(43)49/h4-38H,1-3H3;10-38H,1-9H3;2*6-34H,1-5H3
InChIKeyKNWXFNIUARKSCU-UHFFFAOYSA-N
MW3360.24 g/mol
LogP72.61
Rot. Bonds24

About 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine

7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine (PubChem CID 159189385) has the molecular formula C244H188N8O8 and a molecular weight of 3360.24 g/mol. Its IUPAC name is 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine.

Molecular Properties

Compound Name7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine
PubChem CID159189385
Molecular FormulaC244H188N8O8
Molecular Weight3360.24 g/mol
Exact Mass3357.46
IUPAC Name7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine
SMILESCC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)cc(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc(c1)c2c34.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3c(C)cc4cc(C(C)(C)C)cc1c4c23.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc(C)c4cc(C(C)(C)C)cc1c4c23
InChIInChI=1S/C64H44N2O2.C64H56N2O2.2C58H44N2O2/c1-64(2,3)43-36-41-28-32-48-54(65(44-18-6-4-7-19-44)52-26-14-24-50-59-46-22-12-10-16-39(46)30-34-56(59)67-62(50)52)38-55(49-33-29-42(37-43)58(41)61(48)49)66(45-20-8-5-9-21-45)53-27-15-25-51-60-47-23-13-11-17-40(47)31-35-57(60)68-63(51)53;1-62(2,3)41-36-39-32-34-48-54(65(42-20-12-10-13-21-42)52-30-18-26-46-44-24-16-28-50(63(4,5)6)58(44)67-60(46)52)38-55(49-35-33-40(37-41)56(39)57(48)49)66(43-22-14-11-15-23-43)53-31-19-27-47-45-25-17-29-51(64(7,8)9)59(45)68-61(47)53;1-35-31-46-49(59(39-18-8-6-9-19-39)47-26-16-24-43-41-22-12-14-28-51(41)61-56(43)47)34-50(53-36(2)30-37-32-38(58(3,4)5)33-45(35)54(37)55(46)53)60(40-20-10-7-11-21-40)48-27-17-25-44-42-23-13-15-29-52(42)62-57(44)48;1-35-30-46-50(59(38-18-8-6-9-19-38)48-26-16-24-42-40-22-12-14-28-52(40)61-56(42)48)34-51(47-31-36(2)45-33-37(58(3,4)5)32-44(35)54(45)55(46)47)60(39-20-10-7-11-21-39)49-27-17-25-43-41-23-13-15-29-53(41)62-57(43)49/h4-38H,1-3H3;10-38H,1-9H3;2*6-34H,1-5H3
InChIKeyKNWXFNIUARKSCU-UHFFFAOYSA-N
XLogP72.61
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003360.24
LogP ≤ 572.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-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

7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 122578935
4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159196755
1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-7-[4-(N-[7-tert-butyl-3-(N-phenylanilino)pyren-1-yl]anilino)phenyl]-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 148755949
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(3-phenylphenyl)pyrene-1,3-diamine
CID 122578917
7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 122578909
N-(6-tert-butyldibenzofuran-4-yl)-N-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263087
3-N,8-N-di(dibenzofuran-4-yl)-1,6-dimethyl-3-N,8-N-diphenylbenzo[e]pyrene-3,8-diamine
CID 118581628
7-tert-butyl-1-N,3-N-bis(2,5-dimethylphenyl)-1-N,3-N-bis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(2-methylphenyl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,1-N,3-N,3-N-tetrakis(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 160798873
7-tert-butyl-1-N,3-N-diphenyl-1-N,3-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,3-diamine
CID 122578933
4-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-4-N,10-N-bis(2-methylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2,5-dimethylphenyl)-4-N,10-N-bis(2-methyl-5-phenylphenyl)pyrene-4,10-diamine;7-tert-butyl-4-N,10-N-bis(2-methylphenyl)-4-N,10-N-diphenylpyrene-4,10-diamine;7-tert-butyl-4-N,4-N,10-N,10-N-tetraphenylpyrene-4,10-diamine
CID 163610444
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
CID 144918654
N-(6-tert-butyldibenzofuran-4-yl)-N-(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263082

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine?
The IUPAC name of 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine (CID 159189385) is 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine.
What is the SMILES notation for 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine?
The canonical SMILES for 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine is CC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)cc(N(c4ccccc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc(c1)c2c34.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3c(C)cc4cc(C(C)(C)C)cc1c4c23.Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccccc34)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c3cc(C)c4cc(C(C)(C)C)cc1c4c23.
What is the InChIKey of 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine?
The InChIKey is KNWXFNIUARKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O2.C64H56N2O2.2C58H44N2O2/c1-64(2,3)43-36-41-28-32-48-54(65(44-18-6-4-7-19-44)52-26-14-24-50-59-46-22-12-10-16-39(46)30-34-56(59)67-62(50)52)38-55(49-33-29-42(37-43)58(41)61(48)49)66(45-20-8-5-9-21-45)53-27-15-25-51-60-47-23-13-11-17-40(47)31-35-57(60)68-63(51)53;1-62(2,3)41-36-39-32-34-48-54(65(42-20-12-10-13-21-42)52-30-18-26-46-44-24-16-28-50(63(4,5)6)58(44)67-60(46)52)38-55(49-35-33-40(37-41)56(39)57(48)49)66(43-22-14-11-15-23-43)53-31-19-27-47-45-25-17-29-51(64(7,8)9)59(45)68-61(47)53;1-35-31-46-49(59(39-18-8-6-9-19-39)47-26-16-24-43-41-22-12-14-28-51(41)61-56(43)47)34-50(53-36(2)30-37-32-38(58(3,4)5)33-45(35)54(37)55(46)53)60(40-20-10-7-11-21-40)48-27-17-25-44-42-23-13-15-29-52(42)62-57(44)48;1-35-30-46-50(59(38-18-8-6-9-19-38)48-26-16-24-42-40-22-12-14-28-52(40)61-56(42)48)34-51(47-31-36(2)45-33-37(58(3,4)5)32-44(35)54(45)55(46)47)60(39-20-10-7-11-21-39)49-27-17-25-43-41-23-13-15-29-53(41)62-57(43)49/h4-38H,1-3H3;10-38H,1-9H3;2*6-34H,1-5H3.
What are the key properties of 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine?
7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine has a molecular weight of 3360.24 g/mol, XLogP of 72.61, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-4,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine;7-tert-butyl-1-N,3-N-di(dibenzofuran-4-yl)-5,9-dimethyl-1-N,3-N-diphenylpyrene-1,3-diamine is sourced from PubChem (CID 159189385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).