N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine

C129H84N2O3 — CID 159965334

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C66H41NO2.C63H43NO/c1-2-13-55-53(11-1)54-12-3-4-14-56(54)62-41-47(33-40-57(55)62)44-25-23-42(24-26-44)43-27-34-48(35-28-43)67(49-36-29-45(30-37-49)51-17-9-19-60-58-15-5-7-21-63(58)68-65(51)60)50-38-31-46(32-39-50)52-18-10-20-61-59-16-6-8-22-64(59)69-66(52)61;1-63(2)59-17-9-7-15-54(59)55-35-33-48(39-60(55)63)64(47-31-25-43(26-32-47)45-28-36-62-58(38-45)56-16-8-10-18-61(56)65-62)46-29-23-41(24-30-46)40-19-21-42(22-20-40)44-27-34-53-51-13-4-3-11-49(51)50-12-5-6-14-52(50)57(53)37-44/h1-41H;3-39H,1-2H3
InChIKeyODVZMASHDCCCFN-UHFFFAOYSA-N
MW1710.10 g/mol
LogP36.91
Rot. Bonds13

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 159965334) has the molecular formula C129H84N2O3 and a molecular weight of 1710.10 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
PubChem CID159965334
Molecular FormulaC129H84N2O3
Molecular Weight1710.10 g/mol
Exact Mass1708.65
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C66H41NO2.C63H43NO/c1-2-13-55-53(11-1)54-12-3-4-14-56(54)62-41-47(33-40-57(55)62)44-25-23-42(24-26-44)43-27-34-48(35-28-43)67(49-36-29-45(30-37-49)51-17-9-19-60-58-15-5-7-21-63(58)68-65(51)60)50-38-31-46(32-39-50)52-18-10-20-61-59-16-6-8-22-64(59)69-66(52)61;1-63(2)59-17-9-7-15-54(59)55-35-33-48(39-60(55)63)64(47-31-25-43(26-32-47)45-28-36-62-58(38-45)56-16-8-10-18-61(56)65-62)46-29-23-41(24-30-46)40-19-21-42(22-20-40)44-27-34-53-51-13-4-3-11-49(51)50-12-5-6-14-52(50)57(53)37-44/h1-41H;3-39H,1-2H3
InChIKeyODVZMASHDCCCFN-UHFFFAOYSA-N
XLogP36.91
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001710.10
LogP ≤ 536.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 159210200
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-[4-[4-[7-[N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)anilino]-9,9-dimethylfluoren-2-yl]dibenzofuran-1-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 163811111
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine (CID 159965334) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is ODVZMASHDCCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2.C63H43NO/c1-2-13-55-53(11-1)54-12-3-4-14-56(54)62-41-47(33-40-57(55)62)44-25-23-42(24-26-44)43-27-34-48(35-28-43)67(49-36-29-45(30-37-49)51-17-9-19-60-58-15-5-7-21-63(58)68-65(51)60)50-38-31-46(32-39-50)52-18-10-20-61-59-16-6-8-22-64(59)69-66(52)61;1-63(2)59-17-9-7-15-54(59)55-35-33-48(39-60(55)63)64(47-31-25-43(26-32-47)45-28-36-62-58(38-45)56-16-8-10-18-61(56)65-62)46-29-23-41(24-30-46)40-19-21-42(22-20-40)44-27-34-53-51-13-4-3-11-49(51)50-12-5-6-14-52(50)57(53)37-44/h1-41H;3-39H,1-2H3.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 1710.10 g/mol, XLogP of 36.91, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 159965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).