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

C61H47NO — CID 176759731

IUPACN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1
InChIInChI=1S/C61H47NO/c1-4-18-42(19-5-1)44-34-36-45(37-35-44)50-26-12-15-31-56(50)62(57-32-17-33-59-60(57)53-40-46(38-39-58(53)63-59)43-20-6-2-7-21-43)49-25-16-24-48(41-49)61(47-22-8-3-9-23-47)54-29-13-10-27-51(54)52-28-11-14-30-55(52)61/h2-3,6-17,20-42H,1,4-5,18-19H2
InChIKeyYUNDRWTZHVNMHF-UHFFFAOYSA-N
MW810.05 g/mol
LogP16.80
Rot. Bonds8

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

N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176759731) has the molecular formula C61H47NO and a molecular weight of 810.05 g/mol. Its IUPAC name is N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
PubChem CID176759731
Molecular FormulaC61H47NO
Molecular Weight810.05 g/mol
Exact Mass809.37
IUPAC NameN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1
InChIInChI=1S/C61H47NO/c1-4-18-42(19-5-1)44-34-36-45(37-35-44)50-26-12-15-31-56(50)62(57-32-17-33-59-60(57)53-40-46(38-39-58(53)63-59)43-20-6-2-7-21-43)49-25-16-24-48(41-49)61(47-22-8-3-9-23-47)54-29-13-10-27-51(54)52-28-11-14-30-55(52)61/h2-3,6-17,20-42H,1,4-5,18-19H2
InChIKeyYUNDRWTZHVNMHF-UHFFFAOYSA-N
XLogP16.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.05
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
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
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759746

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (CID 176759731) is N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3oc4cccc(N(c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1.
What is the InChIKey of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is YUNDRWTZHVNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NO/c1-4-18-42(19-5-1)44-34-36-45(37-35-44)50-26-12-15-31-56(50)62(57-32-17-33-59-60(57)53-40-46(38-39-58(53)63-59)43-20-6-2-7-21-43)49-25-16-24-48(41-49)61(47-22-8-3-9-23-47)54-29-13-10-27-51(54)52-28-11-14-30-55(52)61/h2-3,6-17,20-42H,1,4-5,18-19H2.
What are the key properties of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 810.05 g/mol, XLogP of 16.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).