N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine

C63H42N2O2 — CID 176956264

IUPACN-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)54-18-8-3-13-46(54)53-36-35-45(61(62(53)63)40-25-29-42(30-26-40)65-55-19-9-4-14-47(55)48-15-5-10-20-56(48)65)39-23-27-41(28-24-39)64(43-31-33-51-49-16-6-11-21-57(49)66-59(51)37-43)44-32-34-52-50-17-7-12-22-58(50)67-60(52)38-44/h3-38H,1-2H3
InChIKeyAMFRENFEDAXKLQ-UHFFFAOYSA-N
MW859.04 g/mol
LogP17.69
Rot. Bonds6

About N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine

N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine (PubChem CID 176956264) has the molecular formula C63H42N2O2 and a molecular weight of 859.04 g/mol. Its IUPAC name is N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
PubChem CID176956264
Molecular FormulaC63H42N2O2
Molecular Weight859.04 g/mol
Exact Mass858.32
IUPAC NameN-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C63H42N2O2/c1-63(2)54-18-8-3-13-46(54)53-36-35-45(61(62(53)63)40-25-29-42(30-26-40)65-55-19-9-4-14-47(55)48-15-5-10-20-56(48)65)39-23-27-41(28-24-39)64(43-31-33-51-49-16-6-11-21-57(49)66-59(51)37-43)44-32-34-52-50-17-7-12-22-58(50)67-60(52)38-44/h3-38H,1-2H3
InChIKeyAMFRENFEDAXKLQ-UHFFFAOYSA-N
XLogP17.69
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.04
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 165075228
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 118405626
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138577627
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197133

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The IUPAC name of N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine (CID 176956264) is N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21.
What is the InChIKey of N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The InChIKey is AMFRENFEDAXKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2/c1-63(2)54-18-8-3-13-46(54)53-36-35-45(61(62(53)63)40-25-29-42(30-26-40)65-55-19-9-4-14-47(55)48-15-5-10-20-56(48)65)39-23-27-41(28-24-39)64(43-31-33-51-49-16-6-11-21-57(49)66-59(51)37-43)44-32-34-52-50-17-7-12-22-58(50)67-60(52)38-44/h3-38H,1-2H3.
What are the key properties of N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine has a molecular weight of 859.04 g/mol, XLogP of 17.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine is sourced from PubChem (CID 176956264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).