1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

C50H42N4O — CID 140934309

IUPAC1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C50H42N4O/c1-49(2,3)32-22-23-41-38(27-32)39-28-33(50(4,5)6)29-40(45(39)52-41)48-53-46-35(19-13-20-42(46)54(48)34-16-8-7-9-17-34)30-14-12-15-31(26-30)44-47-37(24-25-51-44)36-18-10-11-21-43(36)55-47/h7-29,52H,1-6H3
InChIKeyWOEKVMHUKBYKBN-UHFFFAOYSA-N
MW714.91 g/mol
LogP13.55
Rot. Bonds4

About 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 140934309) has the molecular formula C50H42N4O and a molecular weight of 714.91 g/mol. Its IUPAC name is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID140934309
Molecular FormulaC50H42N4O
Molecular Weight714.91 g/mol
Exact Mass714.34
IUPAC Name1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C50H42N4O/c1-49(2,3)32-22-23-41-38(27-32)39-28-33(50(4,5)6)29-40(45(39)52-41)48-53-46-35(19-13-20-42(46)54(48)34-16-8-7-9-17-34)30-14-12-15-31(26-30)44-47-37(24-25-51-44)36-18-10-11-21-43(36)55-47/h7-29,52H,1-6H3
InChIKeyWOEKVMHUKBYKBN-UHFFFAOYSA-N
XLogP13.55
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 513.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934600
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-methylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934467
1-[3-[1-tert-butyl-2-(3,6-ditert-butyl-9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934401
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934313
1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934132
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
3,6-ditert-butyl-1-[1-(4-tert-butylphenyl)-4-[3-(9-phenylfluoren-9-yl)phenyl]benzimidazol-2-yl]-9H-carbazole
CID 176642568
3,6-ditert-butyl-1-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602
4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
CID 176642464

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 140934309) is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is WOEKVMHUKBYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O/c1-49(2,3)32-22-23-41-38(27-32)39-28-33(50(4,5)6)29-40(45(39)52-41)48-53-46-35(19-13-20-42(46)54(48)34-16-8-7-9-17-34)30-14-12-15-31(26-30)44-47-37(24-25-51-44)36-18-10-11-21-43(36)55-47/h7-29,52H,1-6H3.
What are the key properties of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 714.91 g/mol, XLogP of 13.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 140934309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).