N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine

C71H53NO2 — CID 176759710

IUPACN-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3oc4ccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6oc7ccc(-c8ccc(C9%10CC%11CC(CC(C%11)C9)C%10)cc8)cc7c56)cc4c23)cc1
InChIInChI=1S/C71H53NO2/c1-3-14-49(15-4-1)56-22-12-26-66-68(56)60-41-55(33-35-65(60)73-66)72(54-19-11-18-53(40-54)71(52-16-5-2-6-17-52)61-23-9-7-20-57(61)58-21-8-10-24-62(58)71)63-25-13-27-67-69(63)59-39-50(30-34-64(59)74-67)48-28-31-51(32-29-48)70-42-45-36-46(43-70)38-47(37-45)44-70/h1-35,39-41,45-47H,36-38,42-44H2
InChIKeyPVJLSBRCXUTOLW-UHFFFAOYSA-N
MW952.21 g/mol
LogP19.12
Rot. Bonds8

About N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine

N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 176759710) has the molecular formula C71H53NO2 and a molecular weight of 952.21 g/mol. Its IUPAC name is N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID176759710
Molecular FormulaC71H53NO2
Molecular Weight952.21 g/mol
Exact Mass951.41
IUPAC NameN-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3oc4ccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6oc7ccc(-c8ccc(C9%10CC%11CC(CC(C%11)C9)C%10)cc8)cc7c56)cc4c23)cc1
InChIInChI=1S/C71H53NO2/c1-3-14-49(15-4-1)56-22-12-26-66-68(56)60-41-55(33-35-65(60)73-66)72(54-19-11-18-53(40-54)71(52-16-5-2-6-17-52)61-23-9-7-20-57(61)58-21-8-10-24-62(58)71)63-25-13-27-67-69(63)59-39-50(30-34-64(59)74-67)48-28-31-51(32-29-48)70-42-45-36-46(43-70)38-47(37-45)44-70/h1-35,39-41,45-47H,36-38,42-44H2
InChIKeyPVJLSBRCXUTOLW-UHFFFAOYSA-N
XLogP19.12
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.21
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759825
N-[8-(2,6-diphenylphenyl)dibenzofuran-1-yl]-8-phenyl-N-[3-[9-phenyl-4-(8-phenyldibenzofuran-1-yl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176760020
2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
CID 176759929
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759731
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987

Frequently Asked Questions

What is the IUPAC name of N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine (CID 176759710) is N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2cccc3oc4ccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5cccc6oc7ccc(-c8ccc(C9%10CC%11CC(CC(C%11)C9)C%10)cc8)cc7c56)cc4c23)cc1.
What is the InChIKey of N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is PVJLSBRCXUTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53NO2/c1-3-14-49(15-4-1)56-22-12-26-66-68(56)60-41-55(33-35-65(60)73-66)72(54-19-11-18-53(40-54)71(52-16-5-2-6-17-52)61-23-9-7-20-57(61)58-21-8-10-24-62(58)71)63-25-13-27-67-69(63)59-39-50(30-34-64(59)74-67)48-28-31-51(32-29-48)70-42-45-36-46(43-70)38-47(37-45)44-70/h1-35,39-41,45-47H,36-38,42-44H2.
What are the key properties of N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 952.21 g/mol, XLogP of 19.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 176759710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).