N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine

C58H37FN2O — CID 123700724

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(C=Cc3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc12
InChIInChI=1S/C58H37FN2O/c59-51-36-43(39-14-5-1-6-15-39)35-50(40-16-7-2-8-17-40)58(51)60(44-19-9-3-10-20-44)46-29-32-49-48-30-25-38(34-54(48)62-55(49)37-46)24-26-41-28-33-53-57-47(41)31-27-42-18-13-23-52(56(42)57)61(53)45-21-11-4-12-22-45/h1-37H
InChIKeyUCNHBRMKXODQCY-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.39
Rot. Bonds8

About N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine (PubChem CID 123700724) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine
PubChem CID123700724
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(C=Cc3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc12
InChIInChI=1S/C58H37FN2O/c59-51-36-43(39-14-5-1-6-15-39)35-50(40-16-7-2-8-17-40)58(51)60(44-19-9-3-10-20-44)46-29-32-49-48-30-25-38(34-54(48)62-55(49)37-46)24-26-41-28-33-53-57-47(41)31-27-42-18-13-23-52(56(42)57)61(53)45-21-11-4-12-22-45/h1-37H
InChIKeyUCNHBRMKXODQCY-UHFFFAOYSA-N
XLogP16.39
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

(9-Ethyl-7-methoxycarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 145986734
9-Fluoro-3-methyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15,17,19-nonaen-21-one
CID 164684232
18-Fluoro-3,9-dimethyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15(20),16,18-nonaen-21-one
CID 164686307
9-Fluoro-3,18-dimethyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15(20),16,18-nonaen-21-one
CID 164686308
18-Fluoro-3-methyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7,9,11,15(20),16,18-nonaen-21-one
CID 164686832
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
5H-benzofuro[3,2-c]carbazole
CID 66585341
7H-Benzofuro[2,3-b]carbazole
CID 89472331
11-Phenylbenzofuro[3,2-b]carbazole
CID 102324620
Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
3-(9'h-[9,3':6',9''-Tercarbazol]-9'-yl)-9h-xanthen-9-one
CID 121337025
2,3,4,7-tetrahydro-1H-[1]benzofuro[2,3-b]carbazole
CID 134946172

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine (CID 123700724) is N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc2c(c1)oc1cc(C=Cc3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc12.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine?
The InChIKey is UCNHBRMKXODQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-51-36-43(39-14-5-1-6-15-39)35-50(40-16-7-2-8-17-40)58(51)60(44-19-9-3-10-20-44)46-29-32-49-48-30-25-38(34-54(48)62-55(49)37-46)24-26-41-28-33-53-57-47(41)31-27-42-18-13-23-52(56(42)57)61(53)45-21-11-4-12-22-45/h1-37H.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine has a molecular weight of 796.95 g/mol, XLogP of 16.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine is sourced from PubChem (CID 123700724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).