2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine

C73H66N6O2 — CID 176823444

IUPAC2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine
SMILESCc1cc2c(nc(C)c3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)cc(Oc5cccc(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)c5)cc4c32)c(C)n1
InChIInChI=1S/C73H66N6O2/c1-41(2)55-35-51(48-23-14-12-15-24-48)36-56(42(3)4)68(55)78-64-31-20-18-29-62(64)76-72(78)50-27-22-28-53(34-50)80-54-39-60-66-59-33-45(9)74-46(10)67(59)75-47(11)70(66)81-71(60)61(40-54)73-77-63-30-19-21-32-65(63)79(73)69-57(43(5)6)37-52(38-58(69)44(7)8)49-25-16-13-17-26-49/h12-44H,1-11H3
InChIKeyXMTNKFKFESCCSD-UHFFFAOYSA-N
MW1059.37 g/mol
LogP20.09
Rot. Bonds12

About 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine

2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine (PubChem CID 176823444) has the molecular formula C73H66N6O2 and a molecular weight of 1059.37 g/mol. Its IUPAC name is 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine.

Molecular Properties

Compound Name2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine
PubChem CID176823444
Molecular FormulaC73H66N6O2
Molecular Weight1059.37 g/mol
Exact Mass1058.52
IUPAC Name2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine
SMILESCc1cc2c(nc(C)c3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)cc(Oc5cccc(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)c5)cc4c32)c(C)n1
InChIInChI=1S/C73H66N6O2/c1-41(2)55-35-51(48-23-14-12-15-24-48)36-56(42(3)4)68(55)78-64-31-20-18-29-62(64)76-72(78)50-27-22-28-53(34-50)80-54-39-60-66-59-33-45(9)74-46(10)67(59)75-47(11)70(66)81-71(60)61(40-54)73-77-63-30-19-21-32-65(63)79(73)69-57(43(5)6)37-52(38-58(69)44(7)8)49-25-16-13-17-26-49/h12-44H,1-11H3
InChIKeyXMTNKFKFESCCSD-UHFFFAOYSA-N
XLogP20.09
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.37
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine with MolForge

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Related Compounds

2,4,6-trimethyl-10-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-8-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[3,2-c][1,7]naphthyridine
CID 176823800
5,7,11-trimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
CID 176823297
3,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[3,2-f][1,7]naphthyridine
CID 176823821
15,17-dimethyl-5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-3-oxa-16-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2(10),4(9),5,7,11,14(19),15,17,20-decaene
CID 176823483
5,11-dimethyl-16-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-18-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9,14-dioxa-4,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15(20),16,18-nonaene
CID 176823811
3,5-dimethyl-14-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-12-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-8,16-dioxa-4,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10(15),11,13-heptaene
CID 176823047
5,7-dimethyl-18-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-16-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9-oxa-6,12-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene
CID 176823156
12-methyl-7-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-9-oxa-11-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3(8),4,6,10,12,14,16,18,20-decaene
CID 176823527
1,3,5-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 156667608
7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole
CID 177293755
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
5-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-12-(trideuteriomethyl)-3-oxa-11-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,11,13,15,17,19-decaene
CID 176823580

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine?
The IUPAC name of 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine (CID 176823444) is 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine.
What is the SMILES notation for 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine?
The canonical SMILES for 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine is Cc1cc2c(nc(C)c3oc4c(-c5nc6ccccc6n5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)cc(Oc5cccc(-c6nc7ccccc7n6-c6c(C(C)C)cc(-c7ccccc7)cc6C(C)C)c5)cc4c32)c(C)n1.
What is the InChIKey of 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine?
The InChIKey is XMTNKFKFESCCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H66N6O2/c1-41(2)55-35-51(48-23-14-12-15-24-48)36-56(42(3)4)68(55)78-64-31-20-18-29-62(64)76-72(78)50-27-22-28-53(34-50)80-54-39-60-66-59-33-45(9)74-46(10)67(59)75-47(11)70(66)81-71(60)61(40-54)73-77-63-30-19-21-32-65(63)79(73)69-57(43(5)6)37-52(38-58(69)44(7)8)49-25-16-13-17-26-49/h12-44H,1-11H3.
What are the key properties of 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine?
2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine has a molecular weight of 1059.37 g/mol, XLogP of 20.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-[1]benzofuro[2,3-c][1,7]naphthyridine is sourced from PubChem (CID 176823444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).