N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine

C53H35NO — CID 169293098

IUPACN-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C53H35NO/c1-3-19-39(20-4-1)53(46-28-11-9-26-44(46)45-27-10-12-29-47(45)53)40-21-13-17-37(34-40)38-18-14-24-42(35-38)54(41-22-5-2-6-23-41)48-30-15-31-49-52(48)51-43-25-8-7-16-36(43)32-33-50(51)55-49/h1-35H
InChIKeyJYJBDKCTENLCDB-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

About N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine

N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 169293098) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID169293098
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C53H35NO/c1-3-19-39(20-4-1)53(46-28-11-9-26-44(46)45-27-10-12-29-47(45)53)40-21-13-17-37(34-40)38-18-14-24-42(35-38)54(41-22-5-2-6-23-41)48-30-15-31-49-52(48)51-43-25-8-7-16-36(43)32-33-50(51)55-49/h1-35H
InChIKeyJYJBDKCTENLCDB-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

8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
7-(11-phenylbenzo[a]fluoren-11-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163721882
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,N-diphenyl-3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)aniline;N-naphthalen-1-yl-N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenyl-3-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)-N-(4-phenylphenyl)aniline
CID 159149714
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170675439
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-6-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320689
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine (CID 169293098) is N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(N(c2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c2)c2cccc3oc4ccc5ccccc5c4c23)cc1.
What is the InChIKey of N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is JYJBDKCTENLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-19-39(20-4-1)53(46-28-11-9-26-44(46)45-27-10-12-29-47(45)53)40-21-13-17-37(34-40)38-18-14-24-42(35-38)54(41-22-5-2-6-23-41)48-30-15-31-49-52(48)51-43-25-8-7-16-36(43)32-33-50(51)55-49/h1-35H.
What are the key properties of N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine?
N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine 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-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 169293098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).