1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

C372H304N10O10 — CID 158487673

About 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine

1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (PubChem CID 158487673) has the molecular formula C372H304N10O10 and a molecular weight of 5074.58 g/mol. Its IUPAC name is 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
• PubChem CID: 158487673
• Molecular Formula: C372H304N10O10
• Molecular Weight: 5074.58 g/mol
• Exact Mass: 5070.36
• IUPAC Name: 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine
• SMILES: CCc1ccc(N(c2ccc3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4CC)cccc23)cc1.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3ccc4ccc5c(N(c6ccc(C(C)(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)C)cc3)c3ccc4ccc5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12
• InChI: InChI=1S/2C76H64N2O2.2C74H60N2O2.C72H56N2O2/c1-9-47-21-11-13-27-55(47)57-29-17-31-59-61-33-19-35-67(73(61)79-71(57)59)77(53-25-15-23-51(45-53)75(3,4)5)65-43-39-49-38-42-64-66(44-40-50-37-41-63(65)69(49)70(50)64)78(54-26-16-24-52(46-54)76(6,7)8)68-36-20-34-62-60-32-18-30-58(72(60)80-74(62)68)56-28-14-12-22-48(56)10-2;1-9-47-19-11-13-21-55(47)57-23-15-25-59-61-27-17-29-67(73(61)79-71(57)59)77(53-39-35-51(36-40-53)75(3,4)5)65-45-33-49-32-44-64-66(46-34-50-31-43-63(65)69(49)70(50)64)78(54-41-37-52(38-42-54)76(6,7)8)68-30-18-28-62-60-26-16-24-58(72(60)80-74(62)68)56-22-14-12-20-48(56)10-2;1-7-47-19-9-11-25-55(47)57-27-15-29-59-61-31-17-33-67(73(61)77-71(57)59)75(53-23-13-21-51(43-53)45(3)4)65-41-37-49-36-40-64-66(42-38-50-35-39-63(65)69(49)70(50)64)76(54-24-14-22-52(44-54)46(5)6)68-34-18-32-62-60-30-16-28-58(72(60)78-74(62)68)56-26-12-10-20-48(56)8-2;1-7-47-17-9-11-19-55(47)57-21-13-23-59-61-25-15-27-67(73(61)77-71(57)59)75(53-37-29-49(30-38-53)45(3)4)65-43-35-51-34-42-64-66(44-36-52-33-41-63(65)69(51)70(52)64)76(54-39-31-50(32-40-54)46(5)6)68-28-16-26-62-60-24-14-22-58(72(60)78-74(62)68)56-20-12-10-18-48(56)8-2;1-5-45-29-37-51(38-30-45)73(65-27-15-25-59-57-23-13-21-55(69(57)75-71(59)65)53-19-11-9-17-47(53)7-3)63-43-35-49-34-42-62-64(44-36-50-33-41-61(63)67(49)68(50)62)74(52-39-31-46(6-2)32-40-52)66-28-16-26-60-58-24-14-22-56(70(58)76-72(60)66)54-20-12-10-18-48(54)8-4/h2*11-46H,9-10H2,1-8H3;2*9-46H,7-8H2,1-6H3;9-44H,5-8H2,1-4H3
• InChIKey: HIHMZXPEKCHOGY-UHFFFAOYSA-N
• XLogP: 109.71
• TPSA: 163.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 392
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5074.58
LogP ≤ 5	109.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine (CID 158487673) is 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is CCc1ccc(N(c2ccc3ccc4c(N(c5ccc(CC)cc5)c5cccc6c5oc5c(-c7ccccc7CC)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4CC)cccc23)cc1.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3ccc4ccc5c(N(c6ccc(C(C)(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)C)cc3)c3ccc4ccc5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.CCc1ccccc1-c1cccc2c1oc1c(N(c3cccc(C(C)C)c3)c3ccc4ccc5c(N(c6cccc(C(C)C)c6)c6cccc7c6oc6c(-c8ccccc8CC)cccc67)ccc6ccc3c4c65)cccc12.

What is the InChIKey of 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?

The InChIKey is HIHMZXPEKCHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C76H64N2O2.2C74H60N2O2.C72H56N2O2/c1-9-47-21-11-13-27-55(47)57-29-17-31-59-61-33-19-35-67(73(61)79-71(57)59)77(53-25-15-23-51(45-53)75(3,4)5)65-43-39-49-38-42-64-66(44-40-50-37-41-63(65)69(49)70(50)64)78(54-26-16-24-52(46-54)76(6,7)8)68-36-20-34-62-60-32-18-30-58(72(60)80-74(62)68)56-28-14-12-22-48(56)10-2;1-9-47-19-11-13-21-55(47)57-23-15-25-59-61-27-17-29-67(73(61)79-71(57)59)77(53-39-35-51(36-40-53)75(3,4)5)65-45-33-49-32-44-64-66(46-34-50-31-43-63(65)69(49)70(50)64)78(54-41-37-52(38-42-54)76(6,7)8)68-30-18-28-62-60-26-16-24-58(72(60)80-74(62)68)56-22-14-12-20-48(56)10-2;1-7-47-19-9-11-25-55(47)57-27-15-29-59-61-31-17-33-67(73(61)77-71(57)59)75(53-23-13-21-51(43-53)45(3)4)65-41-37-49-36-40-64-66(42-38-50-35-39-63(65)69(49)70(50)64)76(54-24-14-22-52(44-54)46(5)6)68-34-18-32-62-60-30-16-28-58(72(60)78-74(62)68)56-26-12-10-20-48(56)8-2;1-7-47-17-9-11-19-55(47)57-21-13-23-59-61-25-15-27-67(73(61)77-71(57)59)75(53-37-29-49(30-38-53)45(3)4)65-43-35-51-34-42-64-66(44-36-52-33-41-63(65)69(51)70(52)64)76(54-39-31-50(32-40-54)46(5)6)68-28-16-26-62-60-24-14-22-58(72(60)78-74(62)68)56-20-12-10-18-48(56)8-2;1-5-45-29-37-51(38-30-45)73(65-27-15-25-59-57-23-13-21-55(69(57)75-71(59)65)53-19-11-9-17-47(53)7-3)63-43-35-49-34-42-62-64(44-36-50-33-41-61(63)67(49)68(50)62)74(52-39-31-46(6-2)32-40-52)66-28-16-26-60-58-24-14-22-56(70(58)76-72(60)66)54-20-12-10-18-48(54)8-4/h2*11-46H,9-10H2,1-8H3;2*9-46H,7-8H2,1-6H3;9-44H,5-8H2,1-4H3.

What are the key properties of 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine?

1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine has a molecular weight of 5074.58 g/mol, XLogP of 109.71, 56 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-bis(3-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;1-N,6-N-bis(4-ethylphenyl)-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-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 158487673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).