N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine

C65H43NO — CID 170373323

IUPACN-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3c(-c5ccccc5)cc5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)45-32-36-51(37-33-45)66(52-38-34-47(35-39-52)55-29-17-30-57-56-28-15-16-31-61(56)67-64(55)57)53-40-41-60-59(43-53)62-58(46-20-7-2-8-21-46)42-48-22-13-14-27-54(48)63(62)65(60,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyKZOTYRRZEJOTPF-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.57
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine

N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine (PubChem CID 170373323) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine
PubChem CID170373323
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3c(-c5ccccc5)cc5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)45-32-36-51(37-33-45)66(52-38-34-47(35-39-52)55-29-17-30-57-56-28-15-16-31-61(56)67-64(55)57)53-40-41-60-59(43-53)62-58(46-20-7-2-8-21-46)42-48-22-13-14-27-54(48)63(62)65(60,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H
InChIKeyKZOTYRRZEJOTPF-UHFFFAOYSA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
3-dibenzofuran-4-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158258479
N-(4-dibenzofuran-4-ylphenyl)-9-[4-(3-fluorodibenzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 164769049
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 157395507
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
CID 170412944
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine (CID 170373323) is N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3c(-c5ccccc5)cc5ccccc5c3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine?
The InChIKey is KZOTYRRZEJOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-5-18-44(19-6-1)45-32-36-51(37-33-45)66(52-38-34-47(35-39-52)55-29-17-30-57-56-28-15-16-31-61(56)67-64(55)57)53-40-41-60-59(43-53)62-58(46-20-7-2-8-21-46)42-48-22-13-14-27-54(48)63(62)65(60,49-23-9-3-10-24-49)50-25-11-4-12-26-50/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine?
N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine has a molecular weight of 854.07 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine is sourced from PubChem (CID 170373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).