2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine

C50H35NO — CID 176846308

IUPAC2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(Cc2ccc3oc4ccccc4c3c2Nc2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-14-34(15-4-1)32-37-28-31-47-48(43-22-9-12-25-46(43)52-47)49(37)51-40-29-26-35(27-30-40)36-16-13-19-39(33-36)50(38-17-5-2-6-18-38)44-23-10-7-20-41(44)42-21-8-11-24-45(42)50/h1-31,33,51H,32H2
InChIKeyJFFSPHHNFZBLFJ-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.95
Rot. Bonds7

About 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine

2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 176846308) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID176846308
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC Name2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(Cc2ccc3oc4ccccc4c3c2Nc2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C50H35NO/c1-3-14-34(15-4-1)32-37-28-31-47-48(43-22-9-12-25-46(43)52-47)49(37)51-40-29-26-35(27-30-40)36-16-13-19-39(33-36)50(38-17-5-2-6-18-38)44-23-10-7-20-41(44)42-21-8-11-24-45(42)50/h1-31,33,51H,32H2
InChIKeyJFFSPHHNFZBLFJ-UHFFFAOYSA-N
XLogP12.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 168793860
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
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
2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 174361020
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-[4-(9-phenylfluoren-9-yl)phenyl]-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280645
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 176846308) is 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(Cc2ccc3oc4ccccc4c3c2Nc2ccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is JFFSPHHNFZBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NO/c1-3-14-34(15-4-1)32-37-28-31-47-48(43-22-9-12-25-46(43)52-47)49(37)51-40-29-26-35(27-30-40)36-16-13-19-39(33-36)50(38-17-5-2-6-18-38)44-23-10-7-20-41(44)42-21-8-11-24-45(42)50/h1-31,33,51H,32H2.
What are the key properties of 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine?
2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 665.84 g/mol, XLogP of 12.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176846308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).