N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine

C61H37N3O — CID 170280358

IUPACN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)n4c6ccccc6c6ccc7c8ccccc8n5c7c64)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C61H37N3O/c1-3-17-38(18-4-1)61(39-19-5-2-6-20-39)47-25-11-7-23-45(47)57-48(61)26-15-29-52(57)62(53-30-16-32-56-58(53)46-24-10-14-31-55(46)65-56)40-33-36-51-54(37-40)64-50-28-13-9-22-42(50)44-35-34-43-41-21-8-12-27-49(41)63(51)59(43)60(44)64/h1-37H
InChIKeyYNQSLYBQIQDQBK-UHFFFAOYSA-N
MW827.99 g/mol
LogP15.97
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine

N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine (PubChem CID 170280358) has the molecular formula C61H37N3O and a molecular weight of 827.99 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
PubChem CID170280358
Molecular FormulaC61H37N3O
Molecular Weight827.99 g/mol
Exact Mass827.29
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)n4c6ccccc6c6ccc7c8ccccc8n5c7c64)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C61H37N3O/c1-3-17-38(18-4-1)61(39-19-5-2-6-20-39)47-25-11-7-23-45(47)57-48(61)26-15-29-52(57)62(53-30-16-32-56-58(53)46-24-10-14-31-55(46)65-56)40-33-36-51-54(37-40)64-50-28-13-9-22-42(50)44-35-34-43-41-21-8-12-27-49(41)63(51)59(43)60(44)64/h1-37H
InChIKeyYNQSLYBQIQDQBK-UHFFFAOYSA-N
XLogP15.97
TPSA25.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.99
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine with MolForge

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Related Compounds

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-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
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,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-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
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
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164956261
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
N-(9,9-diphenylfluoren-4-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168301

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine (CID 170280358) is N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)n4c6ccccc6c6ccc7c8ccccc8n5c7c64)c4cccc5oc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The InChIKey is YNQSLYBQIQDQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O/c1-3-17-38(18-4-1)61(39-19-5-2-6-20-39)47-25-11-7-23-45(47)57-48(61)26-15-29-52(57)62(53-30-16-32-56-58(53)46-24-10-14-31-55(46)65-56)40-33-36-51-54(37-40)64-50-28-13-9-22-42(50)44-35-34-43-41-21-8-12-27-49(41)63(51)59(43)60(44)64/h1-37H.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine has a molecular weight of 827.99 g/mol, XLogP of 15.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-4-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine is sourced from PubChem (CID 170280358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).