3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine

C234H176N8S8 — CID 157329079

IUPAC3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CCc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(CC)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.Cc1cccc(C)c1N(c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4sc4ccccc45)ccc4ccc1c2c43)c1cccc2c1sc1ccccc12.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H52N2S2.C58H44N2S2.2C56H40N2S2/c1-5-19-41(20-6-1)53-39-57(65(43-23-9-3-10-24-43)55-31-17-29-49-45-27-13-15-33-59(45)67-63(49)55)51-38-36-48-54(42-21-7-2-8-22-42)40-58(52-37-35-47(53)61(51)62(48)52)66(44-25-11-4-12-26-44)56-32-18-30-50-46-28-14-16-34-60(46)68-64(50)56;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33-13-9-14-34(2)53(33)57(47-21-11-19-41-39-17-5-7-23-49(39)59-55(41)47)45-31-27-37-26-30-44-46(32-28-38-25-29-43(45)51(37)52(38)44)58(54-35(3)15-10-16-36(54)4)48-22-12-20-42-40-18-6-8-24-50(40)60-56(42)48;1-3-35-33-49(57(37-17-7-5-8-18-37)47-25-15-23-43-41-21-11-13-27-51(41)59-55(43)47)45-32-30-40-36(4-2)34-50(46-31-29-39(35)53(45)54(40)46)58(38-19-9-6-10-20-38)48-26-16-24-44-42-22-12-14-28-52(42)60-56(44)48/h3-4,9-18,23-42H,1-2,5-8,19-22H2;5-36H,1-4H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3
InChIKeyBFBOPVDIKHMVFJ-UHFFFAOYSA-N
MW3356.57 g/mol
LogP73.74
Rot. Bonds30

About 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine

3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine (PubChem CID 157329079) has the molecular formula C234H176N8S8 and a molecular weight of 3356.57 g/mol. Its IUPAC name is 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
PubChem CID157329079
Molecular FormulaC234H176N8S8
Molecular Weight3356.57 g/mol
Exact Mass3353.18
IUPAC Name3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine
SMILESCC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CCc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(CC)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.Cc1cccc(C)c1N(c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4sc4ccccc45)ccc4ccc1c2c43)c1cccc2c1sc1ccccc12.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C64H52N2S2.C58H44N2S2.2C56H40N2S2/c1-5-19-41(20-6-1)53-39-57(65(43-23-9-3-10-24-43)55-31-17-29-49-45-27-13-15-33-59(45)67-63(49)55)51-38-36-48-54(42-21-7-2-8-22-42)40-58(52-37-35-47(53)61(51)62(48)52)66(44-25-11-4-12-26-44)56-32-18-30-50-46-28-14-16-34-60(46)68-64(50)56;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33-13-9-14-34(2)53(33)57(47-21-11-19-41-39-17-5-7-23-49(39)59-55(41)47)45-31-27-37-26-30-44-46(32-28-38-25-29-43(45)51(37)52(38)44)58(54-35(3)15-10-16-36(54)4)48-22-12-20-42-40-18-6-8-24-50(40)60-56(42)48;1-3-35-33-49(57(37-17-7-5-8-18-37)47-25-15-23-43-41-21-11-13-27-51(41)59-55(43)47)45-32-30-40-36(4-2)34-50(46-31-29-39(35)53(45)54(40)46)58(38-19-9-6-10-20-38)48-26-16-24-44-42-22-12-14-28-52(42)60-56(44)48/h3-4,9-18,23-42H,1-2,5-8,19-22H2;5-36H,1-4H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3
InChIKeyBFBOPVDIKHMVFJ-UHFFFAOYSA-N
XLogP73.74
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003356.57
LogP ≤ 573.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

6-N-dibenzothiophen-4-yl-1-N-(6-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 135192257
1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-di(dibenzothiophen-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 87618830
1-N-dibenzothiophen-4-yl-6-N-(7-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 170062740
3,8-dicyclohexyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 143848119
1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-tert-butyl-3-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(5-tert-butyl-2-methylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(4-cyclopentylphenyl)-1-N,6-N-bis(3-methyldibenzothiophen-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzothiophen-4-yl)-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
CID 160938215
N-[6-[(2R)-3-dibenzothiophen-4-yl-2-phenylpropyl]pyren-1-yl]-N-phenyldibenzothiophen-4-amine
CID 147071506
2-N,9-N-di(dibenzothiophen-4-yl)-4-ethyl-14,14-dimethyl-2-N,9-N-diphenylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8,10,15(19),16-octaene-2,9-diamine
CID 130195322
1-N,6-N-bis(4-cyclohexylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158323347
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzothiophen-4-amine;N-(3-methylphenyl)-N-pyren-1-yldibenzothiophen-4-amine;N-(4-phenylphenyl)-N-pyren-1-yldibenzothiophen-4-amine;N-phenyl-N-pyren-1-yldibenzothiophen-4-amine
CID 165091303
3,8-dicyclohexyl-1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 159411496
N-(4-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzothiophen-4-amine
CID 167087601
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545

Frequently Asked Questions

What is the IUPAC name of 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The IUPAC name of 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine (CID 157329079) is 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine.
What is the SMILES notation for 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The canonical SMILES for 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine is CC(C)c1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.CCc1cc(N(c2ccccc2)c2cccc3c2sc2ccccc23)c2ccc3c(CC)cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)c4ccc1c2c34.Cc1cccc(C)c1N(c1ccc2ccc3c(N(c4c(C)cccc4C)c4cccc5c4sc4ccccc45)ccc4ccc1c2c43)c1cccc2c1sc1ccccc12.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
The InChIKey is BFBOPVDIKHMVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2S2.C58H44N2S2.2C56H40N2S2/c1-5-19-41(20-6-1)53-39-57(65(43-23-9-3-10-24-43)55-31-17-29-49-45-27-13-15-33-59(45)67-63(49)55)51-38-36-48-54(42-21-7-2-8-22-42)40-58(52-37-35-47(53)61(51)62(48)52)66(44-25-11-4-12-26-44)56-32-18-30-50-46-28-14-16-34-60(46)68-64(50)56;1-35(2)47-33-51(59(37-17-7-5-8-18-37)49-25-15-23-43-39-21-11-13-27-53(39)61-57(43)49)45-32-30-42-48(36(3)4)34-52(46-31-29-41(47)55(45)56(42)46)60(38-19-9-6-10-20-38)50-26-16-24-44-40-22-12-14-28-54(40)62-58(44)50;1-33-13-9-14-34(2)53(33)57(47-21-11-19-41-39-17-5-7-23-49(39)59-55(41)47)45-31-27-37-26-30-44-46(32-28-38-25-29-43(45)51(37)52(38)44)58(54-35(3)15-10-16-36(54)4)48-22-12-20-42-40-18-6-8-24-50(40)60-56(42)48;1-3-35-33-49(57(37-17-7-5-8-18-37)47-25-15-23-43-41-21-11-13-27-51(41)59-55(43)47)45-32-30-40-36(4-2)34-50(46-31-29-39(35)53(45)54(40)46)58(38-19-9-6-10-20-38)48-26-16-24-44-42-22-12-14-28-52(42)60-56(44)48/h3-4,9-18,23-42H,1-2,5-8,19-22H2;5-36H,1-4H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3.
What are the key properties of 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine?
3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine has a molecular weight of 3356.57 g/mol, XLogP of 73.74, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dicyclohexyl-1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-3,8-diethyl-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-4-yl)-1-N,6-N-diphenyl-3,8-di(propan-2-yl)pyrene-1,6-diamine is sourced from PubChem (CID 157329079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).