N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline

C57H41NO — CID 168840030

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)cc3)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)52-22-8-6-19-49(52)51-37-43(31-34-53(51)57)41-27-25-39(26-28-41)40-29-32-45(33-30-40)58(46-17-10-15-42(35-46)38-13-4-3-5-14-38)47-18-11-16-44(36-47)48-21-12-24-55-56(48)50-20-7-9-23-54(50)59-55/h3-37H,1-2H3
InChIKeyYPVZVYBWMYBLJQ-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

About N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline

N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline (PubChem CID 168840030) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
PubChem CID168840030
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)cc3)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)52-22-8-6-19-49(52)51-37-43(31-34-53(51)57)41-27-25-39(26-28-41)40-29-32-45(33-30-40)58(46-17-10-15-42(35-46)38-13-4-3-5-14-38)47-18-11-16-44(36-47)48-21-12-24-55-56(48)50-20-7-9-23-54(50)59-55/h3-37H,1-2H3
InChIKeyYPVZVYBWMYBLJQ-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline (CID 168840030) is N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)cc3)ccc21.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline?
The InChIKey is YPVZVYBWMYBLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)52-22-8-6-19-49(52)51-37-43(31-34-53(51)57)41-27-25-39(26-28-41)40-29-32-45(33-30-40)58(46-17-10-15-42(35-46)38-13-4-3-5-14-38)47-18-11-16-44(36-47)48-21-12-24-55-56(48)50-20-7-9-23-54(50)59-55/h3-37H,1-2H3.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline?
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline has a molecular weight of 755.96 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline is sourced from PubChem (CID 168840030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).