N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

C57H37NO3 — CID 171050049

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C57H37NO3/c1-57(2)48-19-8-6-14-41(48)42-28-26-38(31-49(42)57)58(36-24-22-35(23-25-36)40-17-10-18-44-43-15-7-9-20-50(43)61-56(40)44)37-27-29-51-45(30-37)46-32-54-47(33-53(46)59-51)55-39(16-11-21-52(55)60-54)34-12-4-3-5-13-34/h3-33H,1-2H3
InChIKeyNVKZUEPHGJLPCW-UHFFFAOYSA-N
MW783.93 g/mol
LogP16.49
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (PubChem CID 171050049) has the molecular formula C57H37NO3 and a molecular weight of 783.93 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
PubChem CID171050049
Molecular FormulaC57H37NO3
Molecular Weight783.93 g/mol
Exact Mass783.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21
InChIInChI=1S/C57H37NO3/c1-57(2)48-19-8-6-14-41(48)42-28-26-38(31-49(42)57)58(36-24-22-35(23-25-36)40-17-10-18-44-43-15-7-9-20-50(43)61-56(40)44)37-27-29-51-45(30-37)46-32-54-47(33-53(46)59-51)55-39(16-11-21-52(55)60-54)34-12-4-3-5-13-34/h3-33H,1-2H3
InChIKeyNVKZUEPHGJLPCW-UHFFFAOYSA-N
XLogP16.49
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.93
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050554
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
CID 171050244
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-[4-[4-[7-[N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)anilino]-9,9-dimethylfluoren-2-yl]dibenzofuran-1-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 163811111
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (CID 171050049) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5cc6c(cc5c4c3)oc3cccc(-c4ccccc4)c36)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The InChIKey is NVKZUEPHGJLPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO3/c1-57(2)48-19-8-6-14-41(48)42-28-26-38(31-49(42)57)58(36-24-22-35(23-25-36)40-17-10-18-44-43-15-7-9-20-50(43)61-56(40)44)37-27-29-51-45(30-37)46-32-54-47(33-53(46)59-51)55-39(16-11-21-52(55)60-54)34-12-4-3-5-13-34/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine has a molecular weight of 783.93 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-15-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 171050049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).