N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

C67H42FNO2 — CID 164769049

IUPACN-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESFc1ccc2c(oc3ccccc32)c1-c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C67H42FNO2/c68-61-41-39-57-55-20-9-12-25-63(55)71-66(57)64(61)46-26-32-48(33-27-46)67(47-16-5-2-6-17-47)59-23-10-7-18-53(59)58-42-51(38-40-60(58)67)69(49-34-28-44(29-35-49)43-14-3-1-4-15-43)50-36-30-45(31-37-50)52-21-13-22-56-54-19-8-11-24-62(54)70-65(52)56/h1-42H
InChIKeyPASRTBJMARBPIF-UHFFFAOYSA-N
MW912.08 g/mol
LogP18.46
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 164769049) has the molecular formula C67H42FNO2 and a molecular weight of 912.08 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID164769049
Molecular FormulaC67H42FNO2
Molecular Weight912.08 g/mol
Exact Mass911.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESFc1ccc2c(oc3ccccc32)c1-c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C67H42FNO2/c68-61-41-39-57-55-20-9-12-25-63(55)71-66(57)64(61)46-26-32-48(33-27-46)67(47-16-5-2-6-17-47)59-23-10-7-18-53(59)58-42-51(38-40-60(58)67)69(49-34-28-44(29-35-49)43-14-3-1-4-15-43)50-36-30-45(31-37-50)52-21-13-22-56-54-19-8-11-24-62(54)70-65(52)56/h1-42H
InChIKeyPASRTBJMARBPIF-UHFFFAOYSA-N
XLogP18.46
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.08
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 168805222
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (CID 164769049) is N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is Fc1ccc2c(oc3ccccc32)c1-c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is PASRTBJMARBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42FNO2/c68-61-41-39-57-55-20-9-12-25-63(55)71-66(57)64(61)46-26-32-48(33-27-46)67(47-16-5-2-6-17-47)59-23-10-7-18-53(59)58-42-51(38-40-60(58)67)69(49-34-28-44(29-35-49)43-14-3-1-4-15-43)50-36-30-45(31-37-50)52-21-13-22-56-54-19-8-11-24-62(54)70-65(52)56/h1-42H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 912.08 g/mol, XLogP of 18.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 164769049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).