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

C288H264N8O8 — CID 158281555

About 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

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 (PubChem CID 158281555) has the molecular formula C288H264N8O8 and a molecular weight of 3965.33 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158281555
• Molecular Formula: C288H264N8O8
• Molecular Weight: 3965.33 g/mol
• Exact Mass: 3962.05
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C76H72N2O2.C74H68N2O2.C72H68N2O2.C66H56N2O2/c1-7-23-49(24-8-1)55-35-19-37-59-61-39-21-41-67(75(61)79-73(55)59)77(53-31-15-5-16-32-53)69-47-65(51-27-11-3-12-28-51)57-44-46-64-70(48-66(52-29-13-4-14-30-52)58-43-45-63(69)71(57)72(58)64)78(54-33-17-6-18-34-54)68-42-22-40-62-60-38-20-36-56(74(60)80-76(62)68)50-25-9-2-10-26-50;1-5-21-49(22-6-1)63-45-67(75(51-29-9-3-10-30-51)65-39-19-37-59-57-35-17-33-53(47-25-13-14-26-47)71(57)77-73(59)65)61-44-42-56-64(50-23-7-2-8-24-50)46-68(62-43-41-55(63)69(61)70(56)62)76(52-31-11-4-12-32-52)66-40-20-38-60-58-36-18-34-54(48-27-15-16-28-48)72(58)78-74(60)66;1-71(2,3)59-35-19-31-51-53-33-21-37-61(69(53)75-67(51)59)73(47-27-15-9-16-28-47)63-43-57(45-23-11-7-12-24-45)49-40-42-56-64(44-58(46-25-13-8-14-26-46)50-39-41-55(63)65(49)66(50)56)74(48-29-17-10-18-30-48)62-38-22-34-54-52-32-20-36-60(72(4,5)6)68(52)76-70(54)62;1-41-19-15-29-49-51-31-17-33-57(65(51)69-63(41)49)67(45-25-11-5-12-26-45)59-39-55(43-21-7-3-8-22-43)47-36-38-54-60(40-56(44-23-9-4-10-24-44)48-35-37-53(59)61(47)62(48)54)68(46-27-13-6-14-28-46)58-34-18-32-52-50-30-16-20-42(2)64(50)70-66(52)58/h5-6,15-22,31-52H,1-4,7-14,23-30H2;3-4,9-12,17-20,29-50H,1-2,5-8,13-16,21-28H2;9-10,15-22,27-46H,7-8,11-14,23-26H2,1-6H3;5-6,11-20,25-40,43-44H,3-4,7-10,21-24H2,1-2H3
• InChIKey: GKGUVXNQKDNZKX-UHFFFAOYSA-N
• XLogP: 88.29
• TPSA: 131.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3965.33
LogP ≤ 5	88.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc(C4CCCCC4)c4ccc5c(N(c6ccccc6)c6cccc7c6oc6c(C)cccc67)cc(C6CCCCC6)c6ccc3c4c65)cccc12.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.c1ccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 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?

The InChIKey is GKGUVXNQKDNZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H72N2O2.C74H68N2O2.C72H68N2O2.C66H56N2O2/c1-7-23-49(24-8-1)55-35-19-37-59-61-39-21-41-67(75(61)79-73(55)59)77(53-31-15-5-16-32-53)69-47-65(51-27-11-3-12-28-51)57-44-46-64-70(48-66(52-29-13-4-14-30-52)58-43-45-63(69)71(57)72(58)64)78(54-33-17-6-18-34-54)68-42-22-40-62-60-38-20-36-56(74(60)80-76(62)68)50-25-9-2-10-26-50;1-5-21-49(22-6-1)63-45-67(75(51-29-9-3-10-30-51)65-39-19-37-59-57-35-17-33-53(47-25-13-14-26-47)71(57)77-73(59)65)61-44-42-56-64(50-23-7-2-8-24-50)46-68(62-43-41-55(63)69(61)70(56)62)76(52-31-11-4-12-32-52)66-40-20-38-60-58-36-18-34-54(48-27-15-16-28-48)72(58)78-74(60)66;1-71(2,3)59-35-19-31-51-53-33-21-37-61(69(53)75-67(51)59)73(47-27-15-9-16-28-47)63-43-57(45-23-11-7-12-24-45)49-40-42-56-64(44-58(46-25-13-8-14-26-46)50-39-41-55(63)65(49)66(50)56)74(48-29-17-10-18-30-48)62-38-22-34-54-52-32-20-36-60(72(4,5)6)68(52)76-70(54)62;1-41-19-15-29-49-51-31-17-33-57(65(51)69-63(41)49)67(45-25-11-5-12-26-45)59-39-55(43-21-7-3-8-22-43)47-36-38-54-60(40-56(44-23-9-4-10-24-44)48-35-37-53(59)61(47)62(48)54)68(46-27-13-6-14-28-46)58-34-18-32-52-50-30-16-20-42(2)64(50)70-66(52)58/h5-6,15-22,31-52H,1-4,7-14,23-30H2;3-4,9-12,17-20,29-50H,1-2,5-8,13-16,21-28H2;9-10,15-22,27-46H,7-8,11-14,23-26H2,1-6H3;5-6,11-20,25-40,43-44H,3-4,7-10,21-24H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 3965.33 g/mol, XLogP of 88.29, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).