N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine

C55H37NO — CID 163681080

IUPACN-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccc(C6(c7ccc(-c8ccccc8)cc7)c7ccccc7-c7ccccc76)cc5c34)cc2)cc1
InChIInChI=1S/C55H37NO/c1-4-15-38(16-5-1)40-27-31-42(32-28-40)55(49-23-12-10-21-46(49)47-22-11-13-24-50(47)55)43-33-36-52-48(37-43)54-51(25-14-26-53(54)57-52)56(44-19-8-3-9-20-44)45-34-29-41(30-35-45)39-17-6-2-7-18-39/h1-37H
InChIKeyCTWOKDFQKJWUHV-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.75
Rot. Bonds7

About N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine

N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine (PubChem CID 163681080) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
PubChem CID163681080
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccc(C6(c7ccc(-c8ccccc8)cc7)c7ccccc7-c7ccccc76)cc5c34)cc2)cc1
InChIInChI=1S/C55H37NO/c1-4-15-38(16-5-1)40-27-31-42(32-28-40)55(49-23-12-10-21-46(49)47-22-11-13-24-50(47)55)43-33-36-52-48(37-43)54-51(25-14-26-53(54)57-52)56(44-19-8-3-9-20-44)45-34-29-41(30-35-45)39-17-6-2-7-18-39/h1-37H
InChIKeyCTWOKDFQKJWUHV-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

8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
9-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681079
1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine
CID 170941500
2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
CID 176759929
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
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-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine (CID 163681080) is N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5ccc(C6(c7ccc(-c8ccccc8)cc7)c7ccccc7-c7ccccc76)cc5c34)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine?
The InChIKey is CTWOKDFQKJWUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-15-38(16-5-1)40-27-31-42(32-28-40)55(49-23-12-10-21-46(49)47-22-11-13-24-50(47)55)43-33-36-52-48(37-43)54-51(25-14-26-53(54)57-52)56(44-19-8-3-9-20-44)45-34-29-41(30-35-45)39-17-6-2-7-18-39/h1-37H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine?
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-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-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine is sourced from PubChem (CID 163681080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).