N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline

C63H43NOS — CID 168839723

IUPACN-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C63H43NOS/c1-63(2)57-35-28-44(37-56(57)51-33-27-46(38-58(51)63)50-18-11-19-55-52-16-6-8-20-59(52)65-62(50)55)41-22-29-47(30-23-41)64(49-15-10-14-43(36-49)40-12-4-3-5-13-40)48-31-24-42(25-32-48)45-26-34-54-53-17-7-9-21-60(53)66-61(54)39-45/h3-39H,1-2H3
InChIKeyBRYWIJHRBNLBFX-UHFFFAOYSA-N
MW862.11 g/mol
LogP18.40
Rot. Bonds7

About N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline

N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline (PubChem CID 168839723) has the molecular formula C63H43NOS and a molecular weight of 862.11 g/mol. Its IUPAC name is N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
PubChem CID168839723
Molecular FormulaC63H43NOS
Molecular Weight862.11 g/mol
Exact Mass861.31
IUPAC NameN-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
SMILESCC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C63H43NOS/c1-63(2)57-35-28-44(37-56(57)51-33-27-46(38-58(51)63)50-18-11-19-55-52-16-6-8-20-59(52)65-62(50)55)41-22-29-47(30-23-41)64(49-15-10-14-43(36-49)40-12-4-3-5-13-40)48-31-24-42(25-32-48)45-26-34-54-53-17-7-9-21-60(53)66-61(54)39-45/h3-39H,1-2H3
InChIKeyBRYWIJHRBNLBFX-UHFFFAOYSA-N
XLogP18.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.11
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)aniline
CID 168839647
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
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)-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-(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
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-[9-(N-(3-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzofuran-2-amine
CID 164934499
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline?
The IUPAC name of N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline (CID 168839723) is N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline is CC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc(-c5ccccc5)c4)cc3)cc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline?
The InChIKey is BRYWIJHRBNLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NOS/c1-63(2)57-35-28-44(37-56(57)51-33-27-46(38-58(51)63)50-18-11-19-55-52-16-6-8-20-59(52)65-62(50)55)41-22-29-47(30-23-41)64(49-15-10-14-43(36-49)40-12-4-3-5-13-40)48-31-24-42(25-32-48)45-26-34-54-53-17-7-9-21-60(53)66-61(54)39-45/h3-39H,1-2H3.
What are the key properties of N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline?
N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline has a molecular weight of 862.11 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 168839723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).