1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

C206H140N6O6 — CID 159507395

IUPAC1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1cc(N(c2ccccc2)c2cccc3c2oc2ccc4ccccc4c23)c2ccc3c(C)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc1c2c34.c1ccc(-c2cc(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)c5ccc2c3c45)cc1.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C72H56N2O2.C72H44N2O2.C62H40N2O2/c2*1-5-19-45(20-6-1)59-43-63(73(49-25-9-3-10-26-49)61-33-17-31-57-67-51-29-15-13-23-47(51)35-41-65(67)75-71(57)61)55-40-38-54-60(46-21-7-2-8-22-46)44-64(56-39-37-53(59)69(55)70(54)56)74(50-27-11-4-12-28-50)62-34-18-32-58-68-52-30-16-14-24-48(52)36-42-66(68)76-72(58)62;1-37-35-53(63(41-17-5-3-6-18-41)51-25-13-23-49-57-45-21-11-9-15-39(45)27-33-55(57)65-61(49)51)47-32-30-44-38(2)36-54(48-31-29-43(37)59(47)60(44)48)64(42-19-7-4-8-20-42)52-26-14-24-50-58-46-22-12-10-16-40(46)28-34-56(58)66-62(50)52/h3-4,9-18,23-46H,1-2,5-8,19-22H2;1-44H;3-36H,1-2H3
InChIKeyMAEBPFDBRFCDMK-UHFFFAOYSA-N
MW2795.42 g/mol
LogP60.93
Rot. Bonds22

About 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 159507395) has the molecular formula C206H140N6O6 and a molecular weight of 2795.42 g/mol. Its IUPAC name is 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
PubChem CID159507395
Molecular FormulaC206H140N6O6
Molecular Weight2795.42 g/mol
Exact Mass2793.08
IUPAC Name1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
SMILESCc1cc(N(c2ccccc2)c2cccc3c2oc2ccc4ccccc4c23)c2ccc3c(C)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc1c2c34.c1ccc(-c2cc(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)c5ccc2c3c45)cc1.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C72H56N2O2.C72H44N2O2.C62H40N2O2/c2*1-5-19-45(20-6-1)59-43-63(73(49-25-9-3-10-26-49)61-33-17-31-57-67-51-29-15-13-23-47(51)35-41-65(67)75-71(57)61)55-40-38-54-60(46-21-7-2-8-22-46)44-64(56-39-37-53(59)69(55)70(54)56)74(50-27-11-4-12-28-50)62-34-18-32-58-68-52-30-16-14-24-48(52)36-42-66(68)76-72(58)62;1-37-35-53(63(41-17-5-3-6-18-41)51-25-13-23-49-57-45-21-11-9-15-39(45)27-33-55(57)65-61(49)51)47-32-30-44-38(2)36-54(48-31-29-43(37)59(47)60(44)48)64(42-19-7-4-8-20-42)52-26-14-24-50-58-46-22-12-10-16-40(46)28-34-56(58)66-62(50)52/h3-4,9-18,23-46H,1-2,5-8,19-22H2;1-44H;3-36H,1-2H3
InChIKeyMAEBPFDBRFCDMK-UHFFFAOYSA-N
XLogP60.93
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.42
LogP ≤ 560.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine with MolForge

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Related Compounds

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
3,8-dicyclohexyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 143848119
2-(N-[3,8-dicyclohexyl-6-(3-ethyl-N-(6-phenyldibenzofuran-4-yl)anilino)pyren-1-yl]-3-ethylanilino)-6-[3-(2-methylphenyl)phenyl]phenol
CID 144919103
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-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 159264056
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
3,8-dicyclohexyl-1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 118333169
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-methyl-3-phenylphenyl)-3,8-diphenylpyrene-1,6-diamine
CID 159400063
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-3,8-dicyclohexyl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 158281555
1-N,6-N-bis(2,6-dimethyl-4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 118333223
3,8-dicyclopentyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)pyrene-1,6-diamine
CID 121274506

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 159507395) is 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1cc(N(c2ccccc2)c2cccc3c2oc2ccc4ccccc4c23)c2ccc3c(C)cc(N(c4ccccc4)c4cccc5c4oc4ccc6ccccc6c45)c4ccc1c2c34.c1ccc(-c2cc(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)c3ccc4c(-c5ccccc5)cc(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)c5ccc2c3c45)cc1.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
The InChIKey is MAEBPFDBRFCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2O2.C72H44N2O2.C62H40N2O2/c2*1-5-19-45(20-6-1)59-43-63(73(49-25-9-3-10-26-49)61-33-17-31-57-67-51-29-15-13-23-47(51)35-41-65(67)75-71(57)61)55-40-38-54-60(46-21-7-2-8-22-46)44-64(56-39-37-53(59)69(55)70(54)56)74(50-27-11-4-12-28-50)62-34-18-32-58-68-52-30-16-14-24-48(52)36-42-66(68)76-72(58)62;1-37-35-53(63(41-17-5-3-6-18-41)51-25-13-23-49-57-45-21-11-9-15-39(45)27-33-55(57)65-61(49)51)47-32-30-44-38(2)36-54(48-31-29-43(37)59(47)60(44)48)64(42-19-7-4-8-20-42)52-26-14-24-50-58-46-22-12-10-16-40(46)28-34-56(58)66-62(50)52/h3-4,9-18,23-46H,1-2,5-8,19-22H2;1-44H;3-36H,1-2H3.
What are the key properties of 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?
1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 2795.42 g/mol, XLogP of 60.93, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 159507395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).