1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

C188H133N9O2 — CID 159339591

IUPAC1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21.c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/2C63H45N3O.C62H43N3/c1-63(2)56-29-15-12-25-50(56)51-35-34-47(41-57(51)63)64(44-19-6-3-7-20-44)48-37-43(42-33-36-59-55(39-42)52-26-13-16-30-58(52)66(59)46-23-10-5-11-24-46)38-49(40-48)65(45-21-8-4-9-22-45)60-31-18-28-54-53-27-14-17-32-61(53)67-62(54)60;1-63(2)57-27-15-12-24-51(57)52-33-31-48(41-58(52)63)65(45-20-8-4-9-21-45)50-37-43(42-30-34-60-55(38-42)53-25-13-16-28-59(53)66(60)46-22-10-5-11-23-46)36-49(39-50)64(44-18-6-3-7-19-44)47-32-35-62-56(40-47)54-26-14-17-29-61(54)67-62;1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53/h2*3-41H,1-2H3;1-43H
InChIKeyLFYWQRZVVNEPAF-UHFFFAOYSA-N
MW2550.19 g/mol
LogP52.56
Rot. Bonds25

About 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine

1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (PubChem CID 159339591) has the molecular formula C188H133N9O2 and a molecular weight of 2550.19 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
PubChem CID159339591
Molecular FormulaC188H133N9O2
Molecular Weight2550.19 g/mol
Exact Mass2548.06
IUPAC Name1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21.c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/2C63H45N3O.C62H43N3/c1-63(2)56-29-15-12-25-50(56)51-35-34-47(41-57(51)63)64(44-19-6-3-7-20-44)48-37-43(42-33-36-59-55(39-42)52-26-13-16-30-58(52)66(59)46-23-10-5-11-24-46)38-49(40-48)65(45-21-8-4-9-22-45)60-31-18-28-54-53-27-14-17-32-61(53)67-62(54)60;1-63(2)57-27-15-12-24-51(57)52-33-31-48(41-58(52)63)65(45-20-8-4-9-21-45)50-37-43(42-30-34-60-55(38-42)53-25-13-16-28-59(53)66(60)46-22-10-5-11-23-46)36-49(39-50)64(44-18-6-3-7-19-44)47-32-35-62-56(40-47)54-26-14-17-29-61(54)67-62;1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53/h2*3-41H,1-2H3;1-43H
InChIKeyLFYWQRZVVNEPAF-UHFFFAOYSA-N
XLogP52.56
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002550.19
LogP ≤ 552.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine (CID 159339591) is 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c3)cc21.c1ccc(N(c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(N(c3ccccc3)c3cccc4ccccc34)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
The InChIKey is LFYWQRZVVNEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H45N3O.C62H43N3/c1-63(2)56-29-15-12-25-50(56)51-35-34-47(41-57(51)63)64(44-19-6-3-7-20-44)48-37-43(42-33-36-59-55(39-42)52-26-13-16-30-58(52)66(59)46-23-10-5-11-24-46)38-49(40-48)65(45-21-8-4-9-22-45)60-31-18-28-54-53-27-14-17-32-61(53)67-62(54)60;1-63(2)57-27-15-12-24-51(57)52-33-31-48(41-58(52)63)65(45-20-8-4-9-21-45)50-37-43(42-30-34-60-55(38-42)53-25-13-16-28-59(53)66(60)46-22-10-5-11-23-46)36-49(39-50)64(44-18-6-3-7-19-44)47-32-35-62-56(40-47)54-26-14-17-29-61(54)67-62;1-4-21-51(22-5-1)63(54-37-35-44-17-10-11-19-48(44)39-54)55-40-50(41-56(43-55)64(52-23-6-2-7-24-52)60-30-16-20-47-18-12-13-27-57(47)60)46-33-31-45(32-34-46)49-36-38-62-59(42-49)58-28-14-15-29-61(58)65(62)53-25-8-3-9-26-53/h2*3-41H,1-2H3;1-43H.
What are the key properties of 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine?
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine has a molecular weight of 2550.19 g/mol, XLogP of 52.56, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-dibenzofuran-4-yl-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 159339591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).