3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C195H125N9O3 — CID 161122161

IUPAC3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILES[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1
InChIInChI=1S/2C67H43N3O.C61H39N3O/c1-68-55-31-23-47(24-32-55)49-27-35-57(36-28-49)70-64-21-10-8-19-60(64)61-37-29-51(43-65(61)70)53-39-54(52-30-38-63-62-20-9-11-22-66(62)71-67(63)44-52)42-59(41-53)69(56-33-25-48(26-34-56)45-13-4-2-5-14-45)58-18-12-17-50(40-58)46-15-6-3-7-16-46;1-68-55-30-20-47(21-31-55)50-26-36-58(37-27-50)70-64-18-10-8-16-60(64)61-38-28-51(43-65(61)70)53-40-54(52-29-39-63-62-17-9-11-19-66(62)71-67(63)44-52)42-59(41-53)69(56-32-22-48(23-33-56)45-12-4-2-5-13-45)57-34-24-49(25-35-57)46-14-6-3-7-15-46;1-62-49-28-20-42(21-29-49)44-24-32-52(33-25-44)64-58-18-10-8-16-54(58)55-34-26-45(39-59(55)64)47-36-48(46-27-35-57-56-17-9-11-19-60(56)65-61(57)40-46)38-53(37-47)63(50-14-6-3-7-15-50)51-30-22-43(23-31-51)41-12-4-2-5-13-41/h2*2-44H;2-40H
InChIKeyULCBSOKIQXECKN-UHFFFAOYSA-N
MW2642.20 g/mol
LogP55.45
Rot. Bonds26

About 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 161122161) has the molecular formula C195H125N9O3 and a molecular weight of 2642.20 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID161122161
Molecular FormulaC195H125N9O3
Molecular Weight2642.20 g/mol
Exact Mass2639.99
IUPAC Name3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILES[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1
InChIInChI=1S/2C67H43N3O.C61H39N3O/c1-68-55-31-23-47(24-32-55)49-27-35-57(36-28-49)70-64-21-10-8-19-60(64)61-37-29-51(43-65(61)70)53-39-54(52-30-38-63-62-20-9-11-22-66(62)71-67(63)44-52)42-59(41-53)69(56-33-25-48(26-34-56)45-13-4-2-5-14-45)58-18-12-17-50(40-58)46-15-6-3-7-16-46;1-68-55-30-20-47(21-31-55)50-26-36-58(37-27-50)70-64-18-10-8-16-60(64)61-38-28-51(43-65(61)70)53-40-54(52-29-39-63-62-17-9-11-19-66(62)71-67(63)44-52)42-59(41-53)69(56-32-22-48(23-33-56)45-12-4-2-5-13-45)57-34-24-49(25-35-57)46-14-6-3-7-15-46;1-62-49-28-20-42(21-29-49)44-24-32-52(33-25-44)64-58-18-10-8-16-54(58)55-34-26-45(39-59(55)64)47-36-48(46-27-35-57-56-17-9-11-19-60(56)65-61(57)40-46)38-53(37-47)63(50-14-6-3-7-15-50)51-30-22-43(23-31-51)41-12-4-2-5-13-41/h2*2-44H;2-40H
InChIKeyULCBSOKIQXECKN-UHFFFAOYSA-N
XLogP55.45
TPSA77.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002642.20
LogP ≤ 555.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3-dibenzofuran-2-yl-5-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 161194033
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776
3-dibenzofuran-2-yl-N,N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443777
N-[3-[3-[3-dibenzofuran-4-yl-5-[9-(4-isocyanophenyl)carbazol-2-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 140728916
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 161122161) is 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is [C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7ccccc7)c6)c5)cc43)cc2)cc1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)c5)cc43)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is ULCBSOKIQXECKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H43N3O.C61H39N3O/c1-68-55-31-23-47(24-32-55)49-27-35-57(36-28-49)70-64-21-10-8-19-60(64)61-37-29-51(43-65(61)70)53-39-54(52-30-38-63-62-20-9-11-22-66(62)71-67(63)44-52)42-59(41-53)69(56-33-25-48(26-34-56)45-13-4-2-5-14-45)58-18-12-17-50(40-58)46-15-6-3-7-16-46;1-68-55-30-20-47(21-31-55)50-26-36-58(37-27-50)70-64-18-10-8-16-60(64)61-38-28-51(43-65(61)70)53-40-54(52-29-39-63-62-17-9-11-19-66(62)71-67(63)44-52)42-59(41-53)69(56-32-22-48(23-33-56)45-12-4-2-5-13-45)57-34-24-49(25-35-57)46-14-6-3-7-15-46;1-62-49-28-20-42(21-29-49)44-24-32-52(33-25-44)64-58-18-10-8-16-54(58)55-34-26-45(39-59(55)64)47-36-48(46-27-35-57-56-17-9-11-19-60(56)65-61(57)40-46)38-53(37-47)63(50-14-6-3-7-15-50)51-30-22-43(23-31-51)41-12-4-2-5-13-41/h2*2-44H;2-40H.
What are the key properties of 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 2642.20 g/mol, XLogP of 55.45, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-dibenzofuran-3-yl-5-[9-[4-(4-isocyanophenyl)phenyl]carbazol-2-yl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 161122161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).