N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

C72H51NO2 — CID 169284394

IUPACN,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1C3(C)C
InChIInChI=1S/C72H51NO2/c1-71(2)62-25-11-8-18-54(62)60-42-64-61(43-63(60)71)68-59(48-30-28-46(29-31-48)52-21-14-23-57-55-19-9-12-26-66(55)74-69(52)57)40-51(41-65(68)72(64,3)4)73(49-36-32-45(33-37-49)44-16-6-5-7-17-44)50-38-34-47(35-39-50)53-22-15-24-58-56-20-10-13-27-67(56)75-70(53)58/h5-43H,1-4H3
InChIKeyMDKUNLSIFQVSOY-UHFFFAOYSA-N
MW962.20 g/mol
LogP20.24
Rot. Bonds7

About N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine

N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (PubChem CID 169284394) has the molecular formula C72H51NO2 and a molecular weight of 962.20 g/mol. Its IUPAC name is N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.

Molecular Properties

Compound NameN,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
PubChem CID169284394
Molecular FormulaC72H51NO2
Molecular Weight962.20 g/mol
Exact Mass961.39
IUPAC NameN,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1C3(C)C
InChIInChI=1S/C72H51NO2/c1-71(2)62-25-11-8-18-54(62)60-42-64-61(43-63(60)71)68-59(48-30-28-46(29-31-48)52-21-14-23-57-55-19-9-12-26-66(55)74-69(52)57)40-51(41-65(68)72(64,3)4)73(49-36-32-45(33-37-49)44-16-6-5-7-17-44)50-38-34-47(35-39-50)53-22-15-24-58-56-20-10-13-27-67(56)75-70(53)58/h5-43H,1-4H3
InChIKeyMDKUNLSIFQVSOY-UHFFFAOYSA-N
XLogP20.24
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.20
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[2-[(dimethyl-λ3-iodanyl)methyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl]phenyl]-N-phenylaniline
CID 142540979
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,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
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
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The IUPAC name of N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine (CID 169284394) is N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine.
What is the SMILES notation for N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The canonical SMILES for N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)cc1C3(C)C.
What is the InChIKey of N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
The InChIKey is MDKUNLSIFQVSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51NO2/c1-71(2)62-25-11-8-18-54(62)60-42-64-61(43-63(60)71)68-59(48-30-28-46(29-31-48)52-21-14-23-57-55-19-9-12-26-66(55)74-69(52)57)40-51(41-65(68)72(64,3)4)73(49-36-32-45(33-37-49)44-16-6-5-7-17-44)50-38-34-47(35-39-50)53-22-15-24-58-56-20-10-13-27-67(56)75-70(53)58/h5-43H,1-4H3.
What are the key properties of N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine?
N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine has a molecular weight of 962.20 g/mol, XLogP of 20.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 169284394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).