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

C84H52N2O2 — CID 148833125

IUPAC1-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C84H52N2O2/c1-3-22-54(23-4-1)83(55-24-5-2-6-25-55)71-34-14-9-31-64(71)66-46-42-59(51-76(66)83)85(60-43-47-68-67-33-13-18-39-78(67)87-80(68)52-60)56-26-19-27-57(49-56)86(77-38-20-40-79-81(77)69-45-41-53-21-7-8-28-61(53)82(69)88-79)58-44-48-75-70(50-58)65-32-12-17-37-74(65)84(75)72-35-15-10-29-62(72)63-30-11-16-36-73(63)84/h1-52H
InChIKeyOUBKZQOAFCWRIO-UHFFFAOYSA-N
MW1121.35 g/mol
LogP22.28
Rot. Bonds8

About 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

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 (PubChem CID 148833125) has the molecular formula C84H52N2O2 and a molecular weight of 1121.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID148833125
Molecular FormulaC84H52N2O2
Molecular Weight1121.35 g/mol
Exact Mass1120.40
IUPAC Name1-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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C84H52N2O2/c1-3-22-54(23-4-1)83(55-24-5-2-6-25-55)71-34-14-9-31-64(71)66-46-42-59(51-76(66)83)85(60-43-47-68-67-33-13-18-39-78(67)87-80(68)52-60)56-26-19-27-57(49-56)86(77-38-20-40-79-81(77)69-45-41-53-21-7-8-28-61(53)82(69)88-79)58-44-48-75-70(50-58)65-32-12-17-37-74(65)84(75)72-35-15-10-29-62(72)63-30-11-16-36-73(63)84/h1-52H
InChIKeyOUBKZQOAFCWRIO-UHFFFAOYSA-N
XLogP22.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.35
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-4-yl)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'-amine
CID 135229394
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330009
N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)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'-amine
CID 135229431
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167329607
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
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
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(N(c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is OUBKZQOAFCWRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N2O2/c1-3-22-54(23-4-1)83(55-24-5-2-6-25-55)71-34-14-9-31-64(71)66-46-42-59(51-76(66)83)85(60-43-47-68-67-33-13-18-39-78(67)87-80(68)52-60)56-26-19-27-57(49-56)86(77-38-20-40-79-81(77)69-45-41-53-21-7-8-28-61(53)82(69)88-79)58-44-48-75-70(50-58)65-32-12-17-37-74(65)84(75)72-35-15-10-29-62(72)63-30-11-16-36-73(63)84/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 1121.35 g/mol, XLogP of 22.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 148833125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).