1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine

C80H52N2O2 — CID 155312684

IUPAC1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C80H52N2O2/c1-5-25-53(26-6-1)79(54-27-7-2-8-28-54)65-39-17-13-35-60(65)64-52-59(49-50-67(64)79)81(70-43-23-47-74-77(70)62-37-15-19-45-72(62)83-74)57-33-21-34-58(51-57)82(71-44-24-48-75-78(71)63-38-16-20-46-73(63)84-75)69-42-22-41-68-76(69)61-36-14-18-40-66(61)80(68,55-29-9-3-10-30-55)56-31-11-4-12-32-56/h1-52H
InChIKeyJAOICKAARKVTMC-UHFFFAOYSA-N
MW1073.31 g/mol
LogP21.15
Rot. Bonds10

About 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine

1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine (PubChem CID 155312684) has the molecular formula C80H52N2O2 and a molecular weight of 1073.31 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
PubChem CID155312684
Molecular FormulaC80H52N2O2
Molecular Weight1073.31 g/mol
Exact Mass1072.40
IUPAC Name1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C80H52N2O2/c1-5-25-53(26-6-1)79(54-27-7-2-8-28-54)65-39-17-13-35-60(65)64-52-59(49-50-67(64)79)81(70-43-23-47-74-77(70)62-37-15-19-45-72(62)83-74)57-33-21-34-58(51-57)82(71-44-24-48-75-78(71)63-38-16-20-46-73(63)84-75)69-42-22-41-68-76(69)61-36-14-18-40-66(61)80(68,55-29-9-3-10-30-55)56-31-11-4-12-32-56/h1-52H
InChIKeyJAOICKAARKVTMC-UHFFFAOYSA-N
XLogP21.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.31
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 147414987
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532
N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
CID 163943702
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
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-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine (CID 155312684) is 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6oc7ccccc7c56)c4)c4cccc5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine?
The InChIKey is JAOICKAARKVTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2O2/c1-5-25-53(26-6-1)79(54-27-7-2-8-28-54)65-39-17-13-35-60(65)64-52-59(49-50-67(64)79)81(70-43-23-47-74-77(70)62-37-15-19-45-72(62)83-74)57-33-21-34-58(51-57)82(71-44-24-48-75-78(71)63-38-16-20-46-73(63)84-75)69-42-22-41-68-76(69)61-36-14-18-40-66(61)80(68,55-29-9-3-10-30-55)56-31-11-4-12-32-56/h1-52H.
What are the key properties of 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine?
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine has a molecular weight of 1073.31 g/mol, XLogP of 21.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 155312684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).