N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

C67H43NO2 — CID 176759950

IUPACN-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(C3(c4cccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6oc7ccc(-c8ccccc8)cc7c56)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C67H43NO2/c1-3-17-44(18-4-1)47-21-13-22-49(41-47)67(58-29-10-7-25-54(58)55-26-8-11-30-59(55)67)50-23-14-24-52(43-50)68(51-38-35-46(36-39-51)53-28-15-33-63-65(53)56-27-9-12-32-61(56)69-63)60-31-16-34-64-66(60)57-42-48(37-40-62(57)70-64)45-19-5-2-6-20-45/h1-43H
InChIKeyPARALXXGZRKIMM-UHFFFAOYSA-N
MW894.09 g/mol
LogP18.32
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (PubChem CID 176759950) has the molecular formula C67H43NO2 and a molecular weight of 894.09 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
PubChem CID176759950
Molecular FormulaC67H43NO2
Molecular Weight894.09 g/mol
Exact Mass893.33
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(C3(c4cccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6oc7ccc(-c8ccccc8)cc7c56)c4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C67H43NO2/c1-3-17-44(18-4-1)47-21-13-22-49(41-47)67(58-29-10-7-25-54(58)55-26-8-11-30-59(55)67)50-23-14-24-52(43-50)68(51-38-35-46(36-39-51)53-28-15-33-63-65(53)56-27-9-12-32-61(56)69-63)60-31-16-34-64-66(60)57-42-48(37-40-62(57)70-64)45-19-5-2-6-20-45/h1-43H
InChIKeyPARALXXGZRKIMM-UHFFFAOYSA-N
XLogP18.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759722
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
CID 176759929
N-[8-(2,6-diphenylphenyl)dibenzofuran-1-yl]-8-phenyl-N-[3-[9-phenyl-4-(8-phenyldibenzofuran-1-yl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176760020
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (CID 176759950) is N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(C3(c4cccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6oc7ccc(-c8ccccc8)cc7c56)c4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is PARALXXGZRKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO2/c1-3-17-44(18-4-1)47-21-13-22-49(41-47)67(58-29-10-7-25-54(58)55-26-8-11-30-59(55)67)50-23-14-24-52(43-50)68(51-38-35-46(36-39-51)53-28-15-33-63-65(53)56-27-9-12-32-61(56)69-63)60-31-16-34-64-66(60)57-42-48(37-40-62(57)70-64)45-19-5-2-6-20-45/h1-43H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 894.09 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).