N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

C53H35NO — CID 118004616

IUPACN-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)39-23-22-36-12-4-5-13-38(36)34-39)44-31-26-40(27-32-44)53(49-19-9-6-16-45(49)46-17-7-10-20-50(46)53)41-28-33-52-48(35-41)47-18-8-11-21-51(47)55-52/h1-35H
InChIKeyWJPPHFWGKLYTNL-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 118004616) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
PubChem CID118004616
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)39-23-22-36-12-4-5-13-38(36)34-39)44-31-26-40(27-32-44)53(49-19-9-6-16-45(49)46-17-7-10-20-50(46)53)41-28-33-52-48(35-41)47-18-8-11-21-51(47)55-52/h1-35H
InChIKeyWJPPHFWGKLYTNL-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 135195814
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (CID 118004616) is N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is WJPPHFWGKLYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)39-23-22-36-12-4-5-13-38(36)34-39)44-31-26-40(27-32-44)53(49-19-9-6-16-45(49)46-17-7-10-20-50(46)53)41-28-33-52-48(35-41)47-18-8-11-21-51(47)55-52/h1-35H.
What are the key properties of N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline has a molecular weight of 701.87 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 118004616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).