9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C86H74N4O — CID 176784251

IUPAC9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1cccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Cc8ccccc87)c7ccccc76)c5)cc43)nc2)c1
InChIInChI=1S/C86H74N4O/c1-83(2,3)61-26-20-25-55(46-61)59-40-44-81(87-53-59)90-77-36-17-13-30-70(77)71-42-41-66(52-80(71)90)91-65-28-21-27-64(51-65)88-54-89(79-38-19-18-37-78(79)88)82-67(31-22-32-68(82)60-47-62(84(4,5)6)50-63(48-60)85(7,8)9)56-39-43-76-72(49-56)69-29-12-16-35-75(69)86(76)73-33-14-10-23-57(73)45-58-24-11-15-34-74(58)86/h10-44,46-53H,45,54H2,1-9H3
InChIKeyNVRVKAJREIFRBY-UHFFFAOYSA-N
MW1179.56 g/mol
LogP22.38
Rot. Bonds8

About 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 176784251) has the molecular formula C86H74N4O and a molecular weight of 1179.56 g/mol. Its IUPAC name is 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID176784251
Molecular FormulaC86H74N4O
Molecular Weight1179.56 g/mol
Exact Mass1178.59
IUPAC Name9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCC(C)(C)c1cccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Cc8ccccc87)c7ccccc76)c5)cc43)nc2)c1
InChIInChI=1S/C86H74N4O/c1-83(2,3)61-26-20-25-55(46-61)59-40-44-81(87-53-59)90-77-36-17-13-30-70(77)71-42-41-66(52-80(71)90)91-65-28-21-27-64(51-65)88-54-89(79-38-19-18-37-78(79)88)82-67(31-22-32-68(82)60-47-62(84(4,5)6)50-63(48-60)85(7,8)9)56-39-43-76-72(49-56)69-29-12-16-35-75(69)86(76)73-33-14-10-23-57(73)45-58-24-11-15-34-74(58)86/h10-44,46-53H,45,54H2,1-9H3
InChIKeyNVRVKAJREIFRBY-UHFFFAOYSA-N
XLogP22.38
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.56
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4'-[2-[3-[3-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 176784293
2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(5-tert-butyl-2-pyridinyl)carbazole
CID 177082890
9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176784139
9-[4-tert-butyl-5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083076
2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756717
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177083037
6-[3-[3-[2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]
CID 177066871
2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole
CID 176756903
22-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5-(9,9'-spirobi[fluorene]-3-yl)-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2(7),3,5,8,10,12,14,16,18,23,25-dodecaene
CID 177303449
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709

Frequently Asked Questions

What is the IUPAC name of 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 176784251) is 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1cccc(-c2ccc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Cc8ccccc87)c7ccccc76)c5)cc43)nc2)c1.
What is the InChIKey of 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is NVRVKAJREIFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H74N4O/c1-83(2,3)61-26-20-25-55(46-61)59-40-44-81(87-53-59)90-77-36-17-13-30-70(77)71-42-41-66(52-80(71)90)91-65-28-21-27-64(51-65)88-54-89(79-38-19-18-37-78(79)88)82-67(31-22-32-68(82)60-47-62(84(4,5)6)50-63(48-60)85(7,8)9)56-39-43-76-72(49-56)69-29-12-16-35-75(69)86(76)73-33-14-10-23-57(73)45-58-24-11-15-34-74(58)86/h10-44,46-53H,45,54H2,1-9H3.
What are the key properties of 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 1179.56 g/mol, XLogP of 22.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-3'-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 176784251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).