3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C297H237N11O4 — CID 159981567

IUPAC3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc-4c35)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C77H60N2O.C74H60N4O.C73H59N3O.C73H58N2O/c1-74(2)63-24-13-9-18-51(63)55-34-29-46(41-67(55)74)78(47-30-35-56-52-19-10-14-25-64(52)75(3,4)68(56)42-47)45-28-33-50-59-38-39-71(60-22-17-23-61(72(59)60)73(80)62(50)40-45)79(48-31-36-57-53-20-11-15-26-65(53)76(5,6)69(57)43-48)49-32-37-58-54-21-12-16-27-66(54)77(7,8)70(58)44-49;1-71(2)61-21-13-9-17-53(61)57-37-33-49(41-65(57)71)77(50-34-38-58-54-18-10-14-22-62(54)72(3,4)66(58)42-50)47-29-25-45(26-30-47)69-75-76-70(79-69)46-27-31-48(32-28-46)78(51-35-39-59-55-19-11-15-23-63(55)73(5,6)67(59)43-51)52-36-40-60-56-20-12-16-24-64(56)74(7,8)68(60)44-52;1-70(2)59-21-13-9-17-51(59)55-34-29-46(39-63(55)70)75(47-30-35-56-52-18-10-14-22-60(52)71(3,4)64(56)40-47)45-27-25-44(26-28-45)69-74-67-38-33-50(43-68(67)77-69)76(48-31-36-57-53-19-11-15-23-61(53)72(5,6)65(57)41-48)49-32-37-58-54-20-12-16-24-62(54)73(7,8)66(58)42-49;1-70(2)61-21-13-9-17-51(61)55-33-27-45(39-65(55)70)74(46-28-34-56-52-18-10-14-22-62(52)71(3,4)66(56)40-46)43-25-31-49-50-32-26-44(38-60(50)69(76)59(49)37-43)75(47-29-35-57-53-19-11-15-23-63(53)72(5,6)67(57)41-47)48-30-36-58-54-20-12-16-24-64(54)73(7,8)68(58)42-48/h9-44H,1-8H3;9-44H,1-8H3;9-43H,1-8H3;9-42H,1-8H3
InChIKeyOFVJTBUFLITTHX-UHFFFAOYSA-N
MW4024.24 g/mol
LogP78.51
Rot. Bonds27

About 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 159981567) has the molecular formula C297H237N11O4 and a molecular weight of 4024.24 g/mol. Its IUPAC name is 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound Name3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID159981567
Molecular FormulaC297H237N11O4
Molecular Weight4024.24 g/mol
Exact Mass4020.87
IUPAC Name3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc-4c35)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C77H60N2O.C74H60N4O.C73H59N3O.C73H58N2O/c1-74(2)63-24-13-9-18-51(63)55-34-29-46(41-67(55)74)78(47-30-35-56-52-19-10-14-25-64(52)75(3,4)68(56)42-47)45-28-33-50-59-38-39-71(60-22-17-23-61(72(59)60)73(80)62(50)40-45)79(48-31-36-57-53-20-11-15-26-65(53)76(5,6)69(57)43-48)49-32-37-58-54-21-12-16-27-66(54)77(7,8)70(58)44-49;1-71(2)61-21-13-9-17-53(61)57-37-33-49(41-65(57)71)77(50-34-38-58-54-18-10-14-22-62(54)72(3,4)66(58)42-50)47-29-25-45(26-30-47)69-75-76-70(79-69)46-27-31-48(32-28-46)78(51-35-39-59-55-19-11-15-23-63(55)73(5,6)67(59)43-51)52-36-40-60-56-20-12-16-24-64(56)74(7,8)68(60)44-52;1-70(2)59-21-13-9-17-51(59)55-34-29-46(39-63(55)70)75(47-30-35-56-52-18-10-14-22-60(52)71(3,4)64(56)40-47)45-27-25-44(26-28-45)69-74-67-38-33-50(43-68(67)77-69)76(48-31-36-57-53-19-11-15-23-61(53)72(5,6)65(57)41-48)49-32-37-58-54-20-12-16-24-62(54)73(7,8)66(58)42-49;1-70(2)61-21-13-9-17-51(61)55-33-27-45(39-65(55)70)74(46-28-34-56-52-18-10-14-22-62(52)71(3,4)66(56)40-46)43-25-31-49-50-32-26-44(38-60(50)69(76)59(49)37-43)75(47-29-35-57-53-19-11-15-23-63(53)72(5,6)67(57)41-47)48-30-36-58-54-20-12-16-24-64(54)73(7,8)68(58)42-48/h9-44H,1-8H3;9-44H,1-8H3;9-43H,1-8H3;9-42H,1-8H3
InChIKeyOFVJTBUFLITTHX-UHFFFAOYSA-N
XLogP78.51
TPSA125.01 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms312
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004024.24
LogP ≤ 578.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 159981567) is 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nc5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5)o4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(=O)c3cccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc-4c35)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is OFVJTBUFLITTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H60N2O.C74H60N4O.C73H59N3O.C73H58N2O/c1-74(2)63-24-13-9-18-51(63)55-34-29-46(41-67(55)74)78(47-30-35-56-52-19-10-14-25-64(52)75(3,4)68(56)42-47)45-28-33-50-59-38-39-71(60-22-17-23-61(72(59)60)73(80)62(50)40-45)79(48-31-36-57-53-20-11-15-26-65(53)76(5,6)69(57)43-48)49-32-37-58-54-21-12-16-27-66(54)77(7,8)70(58)44-49;1-71(2)61-21-13-9-17-53(61)57-37-33-49(41-65(57)71)77(50-34-38-58-54-18-10-14-22-62(54)72(3,4)66(58)42-50)47-29-25-45(26-30-47)69-75-76-70(79-69)46-27-31-48(32-28-46)78(51-35-39-59-55-19-11-15-23-63(55)73(5,6)67(59)43-51)52-36-40-60-56-20-12-16-24-64(56)74(7,8)68(60)44-52;1-70(2)59-21-13-9-17-51(59)55-34-29-46(39-63(55)70)75(47-30-35-56-52-18-10-14-22-60(52)71(3,4)64(56)40-47)45-27-25-44(26-28-45)69-74-67-38-33-50(43-68(67)77-69)76(48-31-36-57-53-19-11-15-23-61(53)72(5,6)65(57)41-48)49-32-37-58-54-20-12-16-24-62(54)73(7,8)66(58)42-49;1-70(2)61-21-13-9-17-51(61)55-33-27-45(39-65(55)70)74(46-28-34-56-52-18-10-14-22-62(52)71(3,4)66(56)40-46)43-25-31-49-50-32-26-44(38-60(50)69(76)59(49)37-43)75(47-29-35-57-53-19-11-15-23-63(53)72(5,6)67(57)41-47)48-30-36-58-54-20-12-16-24-64(54)73(7,8)68(58)42-48/h9-44H,1-8H3;9-44H,1-8H3;9-43H,1-8H3;9-42H,1-8H3.
What are the key properties of 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 4024.24 g/mol, XLogP of 78.51, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[bis(9,9-dimethylfluoren-2-yl)amino]benzo[b]phenalen-7-one;2,7-bis[bis(9,9-dimethylfluoren-2-yl)amino]fluoren-9-one;2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-1,3-benzoxazol-6-amine;N-[4-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 159981567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).