N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine

C67H45NO — CID 163834349

IUPACN-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-5-17-46(18-6-1)49-31-37-56(38-32-49)68(57-39-33-50(34-40-57)53-35-41-59-58-27-13-14-30-64(58)69-65(59)45-53)63-29-16-28-61-66(63)60-42-36-52(48-21-9-3-10-22-48)44-62(60)67(61,54-24-11-4-12-25-54)55-26-15-23-51(43-55)47-19-7-2-8-20-47/h1-45H
InChIKeyOGKHASWIVHAZCI-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine

N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 163834349) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID163834349
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-5-17-46(18-6-1)49-31-37-56(38-32-49)68(57-39-33-50(34-40-57)53-35-41-59-58-27-13-14-30-64(58)69-65(59)45-53)63-29-16-28-61-66(63)60-42-36-52(48-21-9-3-10-22-48)44-62(60)67(61,54-24-11-4-12-25-54)55-26-15-23-51(43-55)47-19-7-2-8-20-47/h1-45H
InChIKeyOGKHASWIVHAZCI-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135229888
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453273
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-4-yl]dibenzofuran-3-amine
CID 163671678

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine (CID 163834349) is N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccc(-c5ccccc5)cc3C4(c3ccccc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is OGKHASWIVHAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-5-17-46(18-6-1)49-31-37-56(38-32-49)68(57-39-33-50(34-40-57)53-35-41-59-58-27-13-14-30-64(58)69-65(59)45-53)63-29-16-28-61-66(63)60-42-36-52(48-21-9-3-10-22-48)44-62(60)67(61,54-24-11-4-12-25-54)55-26-15-23-51(43-55)47-19-7-2-8-20-47/h1-45H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 163834349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).