18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

C62H47NO — CID 171403910

IUPAC18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc5c(c4)oc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc3)cc2)cc1
InChIInChI=1S/C62H47NO/c1-4-14-41(15-5-1)42-26-28-43(29-27-42)44-30-32-45(33-31-44)59(46-34-37-54-53-22-10-11-25-57(53)64-58(54)40-46)55-23-12-16-47-38-49-35-36-50-39-48-17-13-24-56(61(48)62(49,50)60(47)55)63(51-18-6-2-7-19-51)52-20-8-3-9-21-52/h1-34,37,40,49-50,59H,35-36,38-39H2
InChIKeyQPKKDFAWQGMAND-UHFFFAOYSA-N
MW822.06 g/mol
LogP15.99
Rot. Bonds8

About 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine

18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (PubChem CID 171403910) has the molecular formula C62H47NO and a molecular weight of 822.06 g/mol. Its IUPAC name is 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.

Molecular Properties

Compound Name18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
PubChem CID171403910
Molecular FormulaC62H47NO
Molecular Weight822.06 g/mol
Exact Mass821.37
IUPAC Name18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc5c(c4)oc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc3)cc2)cc1
InChIInChI=1S/C62H47NO/c1-4-14-41(15-5-1)42-26-28-43(29-27-42)44-30-32-45(33-31-44)59(46-34-37-54-53-22-10-11-25-57(53)64-58(54)40-46)55-23-12-16-47-38-49-35-36-50-39-48-17-13-24-56(61(48)62(49,50)60(47)55)63(51-18-6-2-7-19-51)52-20-8-3-9-21-52/h1-34,37,40,49-50,59H,35-36,38-39H2
InChIKeyQPKKDFAWQGMAND-UHFFFAOYSA-N
XLogP15.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.06
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine with MolForge

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Related Compounds

18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404359
3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404250
18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404372
N-[4-(4-tert-butylphenyl)phenyl]-N-phenyl-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
CID 171404286
3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404188
18-N-(9H-fluoren-2-yl)-3-N,3-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171403889
18-N-(9,9-diphenylfluoren-2-yl)-3-N,18-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404237
18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404354
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788

Frequently Asked Questions

What is the IUPAC name of 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?
The IUPAC name of 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine (CID 171403910) is 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine.
What is the SMILES notation for 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?
The canonical SMILES for 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is c1ccc(-c2ccc(-c3ccc(C(c4ccc5c(c4)oc4ccccc45)c4cccc5c4C46c7c(cccc7N(c7ccccc7)c7ccccc7)CC4CCC6C5)cc3)cc2)cc1.
What is the InChIKey of 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?
The InChIKey is QPKKDFAWQGMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NO/c1-4-14-41(15-5-1)42-26-28-43(29-27-42)44-30-32-45(33-31-44)59(46-34-37-54-53-22-10-11-25-57(53)64-58(54)40-46)55-23-12-16-47-38-49-35-36-50-39-48-17-13-24-56(61(48)62(49,50)60(47)55)63(51-18-6-2-7-19-51)52-20-8-3-9-21-52/h1-34,37,40,49-50,59H,35-36,38-39H2.
What are the key properties of 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine?
18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine has a molecular weight of 822.06 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine is sourced from PubChem (CID 171403910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).