N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C57H39NO2 — CID 159530735

IUPACN-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(oc4c(-c5ccccc5)cccc43)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C57H39NO2/c1-57(2)48-23-11-9-19-43(48)46-35-47-44-22-13-21-42(38-17-7-4-8-18-38)55(44)60-56(47)52(54(46)57)39-29-33-41(34-30-39)58(40-31-27-37(28-32-40)36-15-5-3-6-16-36)49-24-14-26-51-53(49)45-20-10-12-25-50(45)59-51/h3-35H,1-2H3
InChIKeyCACBJELYQQASNT-UHFFFAOYSA-N
MW769.94 g/mol
LogP16.26
Rot. Bonds6

About N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 159530735) has the molecular formula C57H39NO2 and a molecular weight of 769.94 g/mol. Its IUPAC name is N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID159530735
Molecular FormulaC57H39NO2
Molecular Weight769.94 g/mol
Exact Mass769.30
IUPAC NameN-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c(oc4c(-c5ccccc5)cccc43)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)c21
InChIInChI=1S/C57H39NO2/c1-57(2)48-23-11-9-19-43(48)46-35-47-44-22-13-21-42(38-17-7-4-8-18-38)55(44)60-56(47)52(54(46)57)39-29-33-41(34-30-39)58(40-31-27-37(28-32-40)36-15-5-3-6-16-36)49-24-14-26-51-53(49)45-20-10-12-25-50(45)59-51/h3-35H,1-2H3
InChIKeyCACBJELYQQASNT-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.94
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
CID 176763185
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 126702847
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N,12-bis(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163616833
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-12-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 160710510
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 159530735) is N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc3c(oc4c(-c5ccccc5)cccc43)c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)c21.
What is the InChIKey of N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is CACBJELYQQASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO2/c1-57(2)48-23-11-9-19-43(48)46-35-47-44-22-13-21-42(38-17-7-4-8-18-38)55(44)60-56(47)52(54(46)57)39-29-33-41(34-30-39)58(40-31-27-37(28-32-40)36-15-5-3-6-16-36)49-24-14-26-51-53(49)45-20-10-12-25-50(45)59-51/h3-35H,1-2H3.
What are the key properties of N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 769.94 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 159530735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).