5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C188H128N6O9 — CID 160511447

IUPAC5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C)cccc23)cc1.Cc1cccc2c1oc1c(N(c3ccc4c(c3)oc3cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)c3ccccc3-c3ccccc3)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3cc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)cccc12
InChIInChI=1S/2C66H44N2O3.C56H40N2O3/c1-41-17-11-29-52-54-31-15-33-57(65(54)70-63(41)52)67(47-25-13-23-45(37-47)43-19-5-3-6-20-43)49-35-36-56-60(39-49)69-61-40-59(50-27-9-10-28-51(50)62(56)61)68(48-26-14-24-46(38-48)44-21-7-4-8-22-44)58-34-16-32-55-53-30-12-18-42(2)64(53)71-66(55)58;1-41-19-15-29-50-52-31-17-35-57(65(52)70-63(41)50)67(55-33-13-11-25-46(55)43-21-5-3-6-22-43)45-37-38-54-60(39-45)69-61-40-59(48-27-9-10-28-49(48)62(54)61)68(56-34-14-12-26-47(56)44-23-7-4-8-24-44)58-36-18-32-53-51-30-16-20-42(2)64(51)71-66(53)58;1-33-21-25-37(26-22-33)57(47-19-9-17-44-42-15-7-11-35(3)53(42)60-55(44)47)39-29-30-46-50(31-39)59-51-32-49(40-13-5-6-14-41(40)52(46)51)58(38-27-23-34(2)24-28-38)48-20-10-18-45-43-16-8-12-36(4)54(43)61-56(45)48/h2*3-40H,1-2H3;5-32H,1-4H3
InChIKeyQTCCACDIGJENCU-UHFFFAOYSA-N
MW2615.12 g/mol
LogP55.57
Rot. Bonds22

About 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 160511447) has the molecular formula C188H128N6O9 and a molecular weight of 2615.12 g/mol. Its IUPAC name is 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID160511447
Molecular FormulaC188H128N6O9
Molecular Weight2615.12 g/mol
Exact Mass2612.97
IUPAC Name5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C)cccc23)cc1.Cc1cccc2c1oc1c(N(c3ccc4c(c3)oc3cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)c3ccccc3-c3ccccc3)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3cc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)cccc12
InChIInChI=1S/2C66H44N2O3.C56H40N2O3/c1-41-17-11-29-52-54-31-15-33-57(65(54)70-63(41)52)67(47-25-13-23-45(37-47)43-19-5-3-6-20-43)49-35-36-56-60(39-49)69-61-40-59(50-27-9-10-28-51(50)62(56)61)68(48-26-14-24-46(38-48)44-21-7-4-8-22-44)58-34-16-32-55-53-30-12-18-42(2)64(53)71-66(55)58;1-41-19-15-29-50-52-31-17-35-57(65(52)70-63(41)50)67(55-33-13-11-25-46(55)43-21-5-3-6-22-43)45-37-38-54-60(39-45)69-61-40-59(48-27-9-10-28-49(48)62(54)61)68(56-34-14-12-26-47(56)44-23-7-4-8-24-44)58-36-18-32-53-51-30-16-20-42(2)64(51)71-66(53)58;1-33-21-25-37(26-22-33)57(47-19-9-17-44-42-15-7-11-35(3)53(42)60-55(44)47)39-29-30-46-50(31-39)59-51-32-49(40-13-5-6-14-41(40)52(46)51)58(38-27-23-34(2)24-28-38)48-20-10-18-45-43-16-8-12-36(4)54(43)61-56(45)48/h2*3-40H,1-2H3;5-32H,1-4H3
InChIKeyQTCCACDIGJENCU-UHFFFAOYSA-N
XLogP55.57
TPSA137.70 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002615.12
LogP ≤ 555.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 160511447) is 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Cc1ccc(N(c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc5c4oc4c(C)cccc45)c4ccccc4c23)c2cccc3c2oc2c(C)cccc23)cc1.Cc1cccc2c1oc1c(N(c3ccc4c(c3)oc3cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)c3ccccc3-c3ccccc3)cccc12.Cc1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)oc3cc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5c(C)cccc56)c5ccccc5c34)cccc12.
What is the InChIKey of 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is QTCCACDIGJENCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H44N2O3.C56H40N2O3/c1-41-17-11-29-52-54-31-15-33-57(65(54)70-63(41)52)67(47-25-13-23-45(37-47)43-19-5-3-6-20-43)49-35-36-56-60(39-49)69-61-40-59(50-27-9-10-28-51(50)62(56)61)68(48-26-14-24-46(38-48)44-21-7-4-8-22-44)58-34-16-32-55-53-30-12-18-42(2)64(53)71-66(55)58;1-41-19-15-29-50-52-31-17-35-57(65(52)70-63(41)50)67(55-33-13-11-25-46(55)43-21-5-3-6-22-43)45-37-38-54-60(39-45)69-61-40-59(48-27-9-10-28-49(48)62(54)61)68(56-34-14-12-26-47(56)44-23-7-4-8-24-44)58-36-18-32-53-51-30-16-20-42(2)64(51)71-66(53)58;1-33-21-25-37(26-22-33)57(47-19-9-17-44-42-15-7-11-35(3)53(42)60-55(44)47)39-29-30-46-50(31-39)59-51-32-49(40-13-5-6-14-41(40)52(46)51)58(38-27-23-34(2)24-28-38)48-20-10-18-45-43-16-8-12-36(4)54(43)61-56(45)48/h2*3-40H,1-2H3;5-32H,1-4H3.
What are the key properties of 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 2615.12 g/mol, XLogP of 55.57, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 160511447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).