2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole

C87H69N5O — CID 172546048

IUPAC2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C87H69N5O/c1-85(2,3)59-41-43-60(44-42-59)87(75-34-18-13-29-67(75)68-30-14-19-35-76(68)87)61-47-48-88-83(51-61)92-79-38-22-17-33-71(79)72-46-45-65(55-82(72)92)93-66-53-63(52-64(54-66)91-77-36-20-15-31-69(77)70-32-16-21-37-78(70)91)89-56-90(81-40-24-23-39-80(81)89)84-73(57-25-9-7-10-26-57)49-62(86(4,5)6)50-74(84)58-27-11-8-12-28-58/h7-55H,56H2,1-6H3
InChIKeyMIHRJRRJJURSFD-UHFFFAOYSA-N
MW1200.54 g/mol
LogP22.61
Rot. Bonds10

About 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole (PubChem CID 172546048) has the molecular formula C87H69N5O and a molecular weight of 1200.54 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
PubChem CID172546048
Molecular FormulaC87H69N5O
Molecular Weight1200.54 g/mol
Exact Mass1199.55
IUPAC Name2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
SMILESCC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C87H69N5O/c1-85(2,3)59-41-43-60(44-42-59)87(75-34-18-13-29-67(75)68-30-14-19-35-76(68)87)61-47-48-88-83(51-61)92-79-38-22-17-33-71(79)72-46-45-65(55-82(72)92)93-66-53-63(52-64(54-66)91-77-36-20-15-31-69(77)70-32-16-21-37-78(70)91)89-56-90(81-40-24-23-39-80(81)89)84-73(57-25-9-7-10-26-57)49-62(86(4,5)6)50-74(84)58-27-11-8-12-28-58/h7-55H,56H2,1-6H3
InChIKeyMIHRJRRJJURSFD-UHFFFAOYSA-N
XLogP22.61
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.54
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole with MolForge

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Related Compounds

2-[2-tert-butyl-5-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole
CID 172545618
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172545856
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172545914
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
2-[3-[3-[4-[2-tert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172545696
2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172545773
2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-methylfluoren-9-yl)-2-pyridinyl]carbazole
CID 172546072
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenoxy]-2-pyridinyl]carbazole
CID 170671587
3-[3-[3-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 172545622
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457
2-[3-tert-butyl-5-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531321
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole (CID 172546048) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole is CC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc54)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole?
The InChIKey is MIHRJRRJJURSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H69N5O/c1-85(2,3)59-41-43-60(44-42-59)87(75-34-18-13-29-67(75)68-30-14-19-35-76(68)87)61-47-48-88-83(51-61)92-79-38-22-17-33-71(79)72-46-45-65(55-82(72)92)93-66-53-63(52-64(54-66)91-77-36-20-15-31-69(77)70-32-16-21-37-78(70)91)89-56-90(81-40-24-23-39-80(81)89)84-73(57-25-9-7-10-26-57)49-62(86(4,5)6)50-74(84)58-27-11-8-12-28-58/h7-55H,56H2,1-6H3.
What are the key properties of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole?
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole has a molecular weight of 1200.54 g/mol, XLogP of 22.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-carbazol-9-ylphenoxy]-9-[4-[9-(4-tert-butylphenyl)fluoren-9-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 172546048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).