4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline

C67H45NO — CID 164724700

IUPAC4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-16-46(17-5-1)48-32-40-54(41-33-48)68(55-42-34-49(35-43-55)47-18-6-2-7-19-47)56-44-36-51(37-45-56)58-25-15-27-62-61-26-14-24-57(65(61)69-66(58)62)50-30-38-53(39-31-50)67(52-20-8-3-9-21-52)63-28-12-10-22-59(63)60-23-11-13-29-64(60)67/h1-45H
InChIKeyHAHFTIRZYJKTTE-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 164724700) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID164724700
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC Name4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-16-46(17-5-1)48-32-40-54(41-33-48)68(55-42-34-49(35-43-55)47-18-6-2-7-19-47)56-44-36-51(37-45-56)58-25-15-27-62-61-26-14-24-57(65(61)69-66(58)62)50-30-38-53(39-31-50)67(52-20-8-3-9-21-52)63-28-12-10-22-59(63)60-23-11-13-29-64(60)67/h1-45H
InChIKeyHAHFTIRZYJKTTE-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
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-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 168805222
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 159547141
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 164724700) is 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HAHFTIRZYJKTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-16-46(17-5-1)48-32-40-54(41-33-48)68(55-42-34-49(35-43-55)47-18-6-2-7-19-47)56-44-36-51(37-45-56)58-25-15-27-62-61-26-14-24-57(65(61)69-66(58)62)50-30-38-53(39-31-50)67(52-20-8-3-9-21-52)63-28-12-10-22-59(63)60-23-11-13-29-64(60)67/h1-45H.
What are the key properties of 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 164724700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).