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

C83H61N5O — CID 172545856

IUPAC2-[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
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cccc(Oc4ccc5c6ccc(-n7c8ccccc8c8ccccc87)cc6n(-c6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C83H61N5O/c1-82(2,3)59-48-70(55-24-7-4-8-25-55)81(71(49-59)56-26-9-5-10-27-56)86-54-85(76-40-21-22-41-77(76)86)60-30-23-31-62(51-60)89-63-43-45-69-68-44-42-61(87-74-38-19-15-34-66(74)67-35-16-20-39-75(67)87)52-78(68)88(79(69)53-63)80-50-58(46-47-84-80)83(57-28-11-6-12-29-57)72-36-17-13-32-64(72)65-33-14-18-37-73(65)83/h4-53H,54H2,1-3H3
InChIKeyXTEYPTOEEOIHEI-UHFFFAOYSA-N
MW1144.43 g/mol
LogP21.31
Rot. Bonds10

About 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

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 (PubChem CID 172545856) has the molecular formula C83H61N5O and a molecular weight of 1144.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172545856
Molecular FormulaC83H61N5O
Molecular Weight1144.43 g/mol
Exact Mass1143.49
IUPAC Name2-[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
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cccc(Oc4ccc5c6ccc(-n7c8ccccc8c8ccccc87)cc6n(-c6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C83H61N5O/c1-82(2,3)59-48-70(55-24-7-4-8-25-55)81(71(49-59)56-26-9-5-10-27-56)86-54-85(76-40-21-22-41-77(76)86)60-30-23-31-62(51-60)89-63-43-45-69-68-44-42-61(87-74-38-19-15-34-66(74)67-35-16-20-39-75(67)87)52-78(68)88(79(69)53-63)80-50-58(46-47-84-80)83(57-28-11-6-12-29-57)72-36-17-13-32-64(72)65-33-14-18-37-73(65)83/h4-53H,54H2,1-3H3
InChIKeyXTEYPTOEEOIHEI-UHFFFAOYSA-N
XLogP21.31
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.43
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-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
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-[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
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
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-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
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-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704513
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]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cccc(Oc4ccc5c6ccc(-n7c8ccccc8c8ccccc87)cc6n(-c6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccn6)c5c4)c3)c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is XTEYPTOEEOIHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H61N5O/c1-82(2,3)59-48-70(55-24-7-4-8-25-55)81(71(49-59)56-26-9-5-10-27-56)86-54-85(76-40-21-22-41-77(76)86)60-30-23-31-62(51-60)89-63-43-45-69-68-44-42-61(87-74-38-19-15-34-66(74)67-35-16-20-39-75(67)87)52-78(68)88(79(69)53-63)80-50-58(46-47-84-80)83(57-28-11-6-12-29-57)72-36-17-13-32-64(72)65-33-14-18-37-73(65)83/h4-53H,54H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1144.43 g/mol, XLogP of 21.31, 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]phenoxy]-7-carbazol-9-yl-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 172545856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).