N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

C57H39NOS — CID 139556418

IUPACN-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c(-c6cccc7c6oc6ccccc67)cccc45)cc3)ccc21
InChIInChI=1S/C57H39NOS/c1-57(2)51-23-8-6-15-43(51)50-35-41(33-34-52(50)57)58(39-29-25-37(26-30-39)36-13-4-3-5-14-36)40-31-27-38(28-32-40)42-17-10-21-48-49-22-12-20-47(56(49)60-55(42)48)46-19-11-18-45-44-16-7-9-24-53(44)59-54(45)46/h3-35H,1-2H3
InChIKeyIATWWVPMGVDWRQ-UHFFFAOYSA-N
MW786.01 g/mol
LogP16.73
Rot. Bonds6

About N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine

N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 139556418) has the molecular formula C57H39NOS and a molecular weight of 786.01 g/mol. Its IUPAC name is N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID139556418
Molecular FormulaC57H39NOS
Molecular Weight786.01 g/mol
Exact Mass785.28
IUPAC NameN-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c(-c6cccc7c6oc6ccccc67)cccc45)cc3)ccc21
InChIInChI=1S/C57H39NOS/c1-57(2)51-23-8-6-15-43(51)50-35-41(33-34-52(50)57)58(39-29-25-37(26-30-39)36-13-4-3-5-14-36)40-31-27-38(28-32-40)42-17-10-21-48-49-22-12-20-47(56(49)60-55(42)48)46-19-11-18-45-44-16-7-9-24-53(44)59-54(45)46/h3-35H,1-2H3
InChIKeyIATWWVPMGVDWRQ-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 159251847
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
CID 169280264
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 160610826
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine (CID 139556418) is N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c(-c6cccc7c6oc6ccccc67)cccc45)cc3)ccc21.
What is the InChIKey of N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is IATWWVPMGVDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOS/c1-57(2)51-23-8-6-15-43(51)50-35-41(33-34-52(50)57)58(39-29-25-37(26-30-39)36-13-4-3-5-14-36)40-31-27-38(28-32-40)42-17-10-21-48-49-22-12-20-47(56(49)60-55(42)48)46-19-11-18-45-44-16-7-9-24-53(44)59-54(45)46/h3-35H,1-2H3.
What are the key properties of N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine?
N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 786.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 139556418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).