8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine

C172H167ClFN3O6 — CID 159749412

IUPAC8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine
SMILESCCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4cc(-c6ccc(F)cc6)ccc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(CCl)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1
InChIInChI=1S/C59H56FNO2.C59H57NO2.C54H54ClNO2/c1-3-5-7-9-10-12-18-40(17-11-8-6-4-2)42-26-34-56-54(35-42)53-33-30-47(39-59(53)62-56)61(55-36-44-19-13-14-20-48(44)49-21-15-16-22-50(49)55)46-29-32-52-51-31-25-43(37-57(51)63-58(52)38-46)41-23-27-45(60)28-24-41;1-3-5-7-9-10-13-21-41(20-12-8-6-4-2)43-28-34-56-53(36-43)51-32-30-46(39-58(51)61-56)60(55-38-45-24-16-17-25-48(45)49-26-18-19-27-50(49)55)47-31-33-52-54-37-44(42-22-14-11-15-23-42)29-35-57(54)62-59(52)40-47;1-3-5-7-9-10-12-18-38(17-11-8-6-4-2)39-24-30-52-49(32-39)47-28-26-42(35-54(47)58-52)56(50-33-40-19-13-14-20-43(40)44-21-15-16-22-45(44)50)41-25-27-46-48-31-37(36-55)23-29-51(48)57-53(46)34-41/h13-16,19-40H,3-12,17-18H2,1-2H3;11,14-19,22-41H,3-10,12-13,20-21H2,1-2H3;13-16,19-35,38H,3-12,17-18,36H2,1-2H3
InChIKeyNDLQPMSLHOAQGY-UHFFFAOYSA-N
MW2426.69 g/mol
LogP55.41
Rot. Bonds51

About 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine

8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine (PubChem CID 159749412) has the molecular formula C172H167ClFN3O6 and a molecular weight of 2426.69 g/mol. Its IUPAC name is 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine.

Molecular Properties

Compound Name8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine
PubChem CID159749412
Molecular FormulaC172H167ClFN3O6
Molecular Weight2426.69 g/mol
Exact Mass2424.25
IUPAC Name8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine
SMILESCCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4cc(-c6ccc(F)cc6)ccc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(CCl)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1
InChIInChI=1S/C59H56FNO2.C59H57NO2.C54H54ClNO2/c1-3-5-7-9-10-12-18-40(17-11-8-6-4-2)42-26-34-56-54(35-42)53-33-30-47(39-59(53)62-56)61(55-36-44-19-13-14-20-48(44)49-21-15-16-22-50(49)55)46-29-32-52-51-31-25-43(37-57(51)63-58(52)38-46)41-23-27-45(60)28-24-41;1-3-5-7-9-10-13-21-41(20-12-8-6-4-2)43-28-34-56-53(36-43)51-32-30-46(39-58(51)61-56)60(55-38-45-24-16-17-25-48(45)49-26-18-19-27-50(49)55)47-31-33-52-54-37-44(42-22-14-11-15-23-42)29-35-57(54)62-59(52)40-47;1-3-5-7-9-10-12-18-38(17-11-8-6-4-2)39-24-30-52-49(32-39)47-28-26-42(35-54(47)58-52)56(50-33-40-19-13-14-20-43(40)44-21-15-16-22-45(44)50)41-25-27-46-48-31-37(36-55)23-29-51(48)57-53(46)34-41/h13-16,19-40H,3-12,17-18H2,1-2H3;11,14-19,22-41H,3-10,12-13,20-21H2,1-2H3;13-16,19-35,38H,3-12,17-18,36H2,1-2H3
InChIKeyNDLQPMSLHOAQGY-UHFFFAOYSA-N
XLogP55.41
TPSA88.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds51
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002426.69
LogP ≤ 555.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine
CID 121325422
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
7-butyl-N-(3-butylphenanthren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166832068
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
10-N-dibenzofuran-2-yl-10-N-(4-fluorophenyl)-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284135
N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779179
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 169157836
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine?
The IUPAC name of 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine (CID 159749412) is 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine.
What is the SMILES notation for 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine?
The canonical SMILES for 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine is CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4cc(-c6ccc(F)cc6)ccc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(-c6ccccc6)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.CCCCCCCCC(CCCCCC)c1ccc2oc3cc(N(c4ccc5c(c4)oc4ccc(CCl)cc45)c4cc5ccccc5c5ccccc45)ccc3c2c1.
What is the InChIKey of 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine?
The InChIKey is NDLQPMSLHOAQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56FNO2.C59H57NO2.C54H54ClNO2/c1-3-5-7-9-10-12-18-40(17-11-8-6-4-2)42-26-34-56-54(35-42)53-33-30-47(39-59(53)62-56)61(55-36-44-19-13-14-20-48(44)49-21-15-16-22-50(49)55)46-29-32-52-51-31-25-43(37-57(51)63-58(52)38-46)41-23-27-45(60)28-24-41;1-3-5-7-9-10-13-21-41(20-12-8-6-4-2)43-28-34-56-53(36-43)51-32-30-46(39-58(51)61-56)60(55-38-45-24-16-17-25-48(45)49-26-18-19-27-50(49)55)47-31-33-52-54-37-44(42-22-14-11-15-23-42)29-35-57(54)62-59(52)40-47;1-3-5-7-9-10-12-18-38(17-11-8-6-4-2)39-24-30-52-49(32-39)47-28-26-42(35-54(47)58-52)56(50-33-40-19-13-14-20-43(40)44-21-15-16-22-45(44)50)41-25-27-46-48-31-37(36-55)23-29-51(48)57-53(46)34-41/h13-16,19-40H,3-12,17-18H2,1-2H3;11,14-19,22-41H,3-10,12-13,20-21H2,1-2H3;13-16,19-35,38H,3-12,17-18,36H2,1-2H3.
What are the key properties of 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine?
8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine has a molecular weight of 2426.69 g/mol, XLogP of 55.41, 51 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine is sourced from PubChem (CID 159749412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).