N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine

C60H40N2O — CID 176760070

IUPACN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c3ccc4oc5cccc(-c6cccnc6)c5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-4-16-41(17-5-1)42-31-33-47(34-32-42)62(49-35-36-56-53(39-49)59-51(27-14-30-57(59)63-56)44-20-15-37-61-40-44)48-24-12-23-46(38-48)60(45-21-8-3-9-22-45)54-28-11-10-25-52(54)58-50(26-13-29-55(58)60)43-18-6-2-7-19-43/h1-40H
InChIKeySNNTZMKMJXAVFP-UHFFFAOYSA-N
MW804.99 g/mol
LogP15.81
Rot. Bonds8

About N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine

N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine (PubChem CID 176760070) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine
PubChem CID176760070
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c3ccc4oc5cccc(-c6cccnc6)c5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-4-16-41(17-5-1)42-31-33-47(34-32-42)62(49-35-36-56-53(39-49)59-51(27-14-30-57(59)63-56)44-20-15-37-61-40-44)48-24-12-23-46(38-48)60(45-21-8-3-9-22-45)54-28-11-10-25-52(54)58-50(26-13-29-55(58)60)43-18-6-2-7-19-43/h1-40H
InChIKeySNNTZMKMJXAVFP-UHFFFAOYSA-N
XLogP15.81
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 176760030
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
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-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
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
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;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 162032569
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine?
The IUPAC name of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine (CID 176760070) is N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine?
The canonical SMILES for N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine is c1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5c(-c6ccccc6)cccc54)c3)c3ccc4oc5cccc(-c6cccnc6)c5c4c3)cc2)cc1.
What is the InChIKey of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine?
The InChIKey is SNNTZMKMJXAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-4-16-41(17-5-1)42-31-33-47(34-32-42)62(49-35-36-56-53(39-49)59-51(27-14-30-57(59)63-56)44-20-15-37-61-40-44)48-24-12-23-46(38-48)60(45-21-8-3-9-22-45)54-28-11-10-25-52(54)58-50(26-13-29-55(58)60)43-18-6-2-7-19-43/h1-40H.
What are the key properties of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine?
N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine has a molecular weight of 804.99 g/mol, XLogP of 15.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine is sourced from PubChem (CID 176760070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).