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

C79H70N4O — CID 172545618

IUPAC2-[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
SMILESCC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6C(C)(C)C)cc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C79H70N4O/c1-76(2,3)54-36-38-55(39-37-54)79(66-31-19-16-28-60(66)61-29-17-20-32-67(61)79)56-44-45-80-74(48-56)83-69-33-21-18-30-62(69)63-42-41-59(50-72(63)83)84-73-49-58(40-43-68(73)78(7,8)9)81-51-82(71-35-23-22-34-70(71)81)75-64(52-24-12-10-13-25-52)46-57(77(4,5)6)47-65(75)53-26-14-11-15-27-53/h10-50H,51H2,1-9H3
InChIKeyBQNVEYMLKPRBTB-UHFFFAOYSA-N
MW1091.46 g/mol
LogP20.81
Rot. Bonds9

About 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

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 (PubChem CID 172545618) has the molecular formula C79H70N4O and a molecular weight of 1091.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172545618
Molecular FormulaC79H70N4O
Molecular Weight1091.46 g/mol
Exact Mass1090.55
IUPAC Name2-[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
SMILESCC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6C(C)(C)C)cc54)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C79H70N4O/c1-76(2,3)54-36-38-55(39-37-54)79(66-31-19-16-28-60(66)61-29-17-20-32-67(61)79)56-44-45-80-74(48-56)83-69-33-21-18-30-62(69)63-42-41-59(50-72(63)83)84-73-49-58(40-43-68(73)78(7,8)9)81-51-82(71-35-23-22-34-70(71)81)75-64(52-24-12-10-13-25-52)46-57(77(4,5)6)47-65(75)53-26-14-11-15-27-53/h10-50H,51H2,1-9H3
InChIKeyBQNVEYMLKPRBTB-UHFFFAOYSA-N
XLogP20.81
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.46
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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
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-[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
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-[[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
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
2-[3-tert-butyl-5-[3-(3-tert-butyl-4-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651286
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(N7CN(c8c(-c9ccccc9)cc(C(C)(C)C)cc8-c8ccccc8)c8ccccc87)ccc6C(C)(C)C)cc54)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is BQNVEYMLKPRBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H70N4O/c1-76(2,3)54-36-38-55(39-37-54)79(66-31-19-16-28-60(66)61-29-17-20-32-67(61)79)56-44-45-80-74(48-56)83-69-33-21-18-30-62(69)63-42-41-59(50-72(63)83)84-73-49-58(40-43-68(73)78(7,8)9)81-51-82(71-35-23-22-34-70(71)81)75-64(52-24-12-10-13-25-52)46-57(77(4,5)6)47-65(75)53-26-14-11-15-27-53/h10-50H,51H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 1091.46 g/mol, XLogP of 20.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172545618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).