3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine

C70H48N2O2 — CID 155312876

IUPAC3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C70H48N2O2/c1-69(2)59-29-13-9-25-52(59)54-38-35-49(42-61(54)69)71(51-37-40-57-56-27-11-15-32-64(56)74-67(57)44-51)47-23-17-24-48(41-47)72(63-31-18-34-66-68(63)58-28-12-16-33-65(58)73-66)50-36-39-55-53-26-10-14-30-60(53)70(62(55)43-50,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyOGLCNTTUPITSQC-UHFFFAOYSA-N
MW949.17 g/mol
LogP19.09
Rot. Bonds8

About 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine

3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine (PubChem CID 155312876) has the molecular formula C70H48N2O2 and a molecular weight of 949.17 g/mol. Its IUPAC name is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
PubChem CID155312876
Molecular FormulaC70H48N2O2
Molecular Weight949.17 g/mol
Exact Mass948.37
IUPAC Name3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C70H48N2O2/c1-69(2)59-29-13-9-25-52(59)54-38-35-49(42-61(54)69)71(51-37-40-57-56-27-11-15-32-64(56)74-67(57)44-51)47-23-17-24-48(41-47)72(63-31-18-34-66-68(63)58-28-12-16-33-65(58)73-66)50-36-39-55-53-26-10-14-30-60(53)70(62(55)43-50,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-44H,1-2H3
InChIKeyOGLCNTTUPITSQC-UHFFFAOYSA-N
XLogP19.09
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.17
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine with MolForge

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Related Compounds

3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
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
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
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463071
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
CID 167285348
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
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
1-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-2-yl)-3-N-naphtho[1,2-b][1]benzofuran-7-yl-3-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 148833125
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
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine (CID 155312876) is 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5oc6ccccc6c45)c3)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine?
The InChIKey is OGLCNTTUPITSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2O2/c1-69(2)59-29-13-9-25-52(59)54-38-35-49(42-61(54)69)71(51-37-40-57-56-27-11-15-32-64(56)74-67(57)44-51)47-23-17-24-48(41-47)72(63-31-18-34-66-68(63)58-28-12-16-33-65(58)73-66)50-36-39-55-53-26-10-14-30-60(53)70(62(55)43-50,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-44H,1-2H3.
What are the key properties of 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine?
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine has a molecular weight of 949.17 g/mol, XLogP of 19.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 155312876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).