N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine

C55H37NO — CID 169293076

IUPACN,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3oc4ccccc4c3cc2N(c2ccccc2)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-19-38(20-5-1)47-37-54-48(46-30-13-17-34-53(46)57-54)36-52(47)56(42-25-8-3-9-26-42)51-33-16-12-27-43(51)39-21-18-24-41(35-39)55(40-22-6-2-7-23-40)49-31-14-10-28-44(49)45-29-11-15-32-50(45)55/h1-37H
InChIKeyRQSNHZWDTLTJCV-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.75
Rot. Bonds7

About N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine

N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 169293076) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID169293076
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3oc4ccccc4c3cc2N(c2ccccc2)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C55H37NO/c1-4-19-38(20-5-1)47-37-54-48(46-30-13-17-34-53(46)57-54)36-52(47)56(42-25-8-3-9-26-42)51-33-16-12-27-43(51)39-21-18-24-41(35-39)55(40-22-6-2-7-23-40)49-31-14-10-28-44(49)45-29-11-15-32-50(45)55/h1-37H
InChIKeyRQSNHZWDTLTJCV-UHFFFAOYSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-dibenzofuran-2-yl-3-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157167545
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 160917720
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
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
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-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N,N-diphenyl-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine;N-phenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 163683268

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine (CID 169293076) is N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2cc3oc4ccccc4c3cc2N(c2ccccc2)c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is RQSNHZWDTLTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-19-38(20-5-1)47-37-54-48(46-30-13-17-34-53(46)57-54)36-52(47)56(42-25-8-3-9-26-42)51-33-16-12-27-43(51)39-21-18-24-41(35-39)55(40-22-6-2-7-23-40)49-31-14-10-28-44(49)45-29-11-15-32-50(45)55/h1-37H.
What are the key properties of N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 169293076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).