5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C64H38N4O2 — CID 155463130

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H38N4O2/c1-3-17-39(18-4-1)50-38-51(66-64(65-50)40-19-5-2-6-20-40)41-31-34-55(68-54-28-14-9-25-48(54)61-57(68)36-33-46-44-23-11-16-30-59(44)70-63(46)61)49(37-41)42-21-7-12-26-52(42)67-53-27-13-8-24-47(53)60-56(67)35-32-45-43-22-10-15-29-58(43)69-62(45)60/h1-38H
InChIKeySAOWHUHGGMKZOU-UHFFFAOYSA-N
MW895.03 g/mol
LogP17.14
Rot. Bonds6

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 155463130) has the molecular formula C64H38N4O2 and a molecular weight of 895.03 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID155463130
Molecular FormulaC64H38N4O2
Molecular Weight895.03 g/mol
Exact Mass894.30
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H38N4O2/c1-3-17-39(18-4-1)50-38-51(66-64(65-50)40-19-5-2-6-20-40)41-31-34-55(68-54-28-14-9-25-48(54)61-57(68)36-33-46-44-23-11-16-30-59(44)70-63(46)61)49(37-41)42-21-7-12-26-52(42)67-53-27-13-8-24-47(53)60-56(67)35-32-45-43-22-10-15-29-58(43)69-62(45)60/h1-38H
InChIKeySAOWHUHGGMKZOU-UHFFFAOYSA-N
XLogP17.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.03
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432271
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636680
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554643
5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636719
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164965431
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003348
5-[2-[2-[4-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-6-phenylpyrimidin-4-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155785396
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
CID 154603075
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-nitrophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 170267879

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 155463130) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SAOWHUHGGMKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O2/c1-3-17-39(18-4-1)50-38-51(66-64(65-50)40-19-5-2-6-20-40)41-31-34-55(68-54-28-14-9-25-48(54)61-57(68)36-33-46-44-23-11-16-30-59(44)70-63(46)61)49(37-41)42-21-7-12-26-52(42)67-53-27-13-8-24-47(53)60-56(67)35-32-45-43-22-10-15-29-58(43)69-62(45)60/h1-38H.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 895.03 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155463130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).