N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline

C61H41NO — CID 168839908

IUPACN-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C61H41NO/c1-4-19-47(20-5-1)61(48-21-6-2-7-22-48)57-31-12-10-27-53(57)56-41-45(37-38-58(56)61)43-35-33-42(34-36-43)44-17-14-25-50(39-44)62(49-23-8-3-9-24-49)51-26-15-18-46(40-51)52-29-16-30-55-54-28-11-13-32-59(54)63-60(52)55/h1-41H
InChIKeyDZCBHYOACMSRSP-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.42
Rot. Bonds8

About N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline

N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline (PubChem CID 168839908) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
PubChem CID168839908
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C61H41NO/c1-4-19-47(20-5-1)61(48-21-6-2-7-22-48)57-31-12-10-27-53(57)56-41-45(37-38-58(56)61)43-35-33-42(34-36-43)44-17-14-25-50(39-44)62(49-23-8-3-9-24-49)51-26-15-18-46(40-51)52-29-16-30-55-54-28-11-13-32-59(54)63-60(52)55/h1-41H
InChIKeyDZCBHYOACMSRSP-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
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
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline (CID 168839908) is N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline is c1ccc(N(c2cccc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c2)c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
The InChIKey is DZCBHYOACMSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-4-19-47(20-5-1)61(48-21-6-2-7-22-48)57-31-12-10-27-53(57)56-41-45(37-38-58(56)61)43-35-33-42(34-36-43)44-17-14-25-50(39-44)62(49-23-8-3-9-24-49)51-26-15-18-46(40-51)52-29-16-30-55-54-28-11-13-32-59(54)63-60(52)55/h1-41H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline?
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline has a molecular weight of 804.01 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 168839908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).