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

C75H62N4O — CID 172545781

IUPAC2-[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
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C75H62N4O/c1-73(2,3)53-41-42-76-71(46-53)79-69-45-54(75(52-27-14-9-15-28-52)65-33-18-16-31-59(65)60-32-17-19-34-66(60)75)37-39-61(69)62-40-38-58(48-70(62)79)80-57-30-22-29-56(47-57)77-49-78(68-36-21-20-35-67(68)77)72-63(50-23-10-7-11-24-50)43-55(74(4,5)6)44-64(72)51-25-12-8-13-26-51/h7-48H,49H2,1-6H3
InChIKeyKCCGFWKOCKIDKX-UHFFFAOYSA-N
MW1035.35 g/mol
LogP19.51
Rot. Bonds9

About 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

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 (PubChem CID 172545781) has the molecular formula C75H62N4O and a molecular weight of 1035.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID172545781
Molecular FormulaC75H62N4O
Molecular Weight1035.35 g/mol
Exact Mass1034.49
IUPAC Name2-[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
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc32)c1
InChIInChI=1S/C75H62N4O/c1-73(2,3)53-41-42-76-71(46-53)79-69-45-54(75(52-27-14-9-15-28-52)65-33-18-16-31-59(65)60-32-17-19-34-66(60)75)37-39-61(69)62-40-38-58(48-70(62)79)80-57-30-22-29-56(47-57)77-49-78(68-36-21-20-35-67(68)77)72-63(50-23-10-7-11-24-50)43-55(74(4,5)6)44-64(72)51-25-12-8-13-26-51/h7-48H,49H2,1-6H3
InChIKeyKCCGFWKOCKIDKX-UHFFFAOYSA-N
XLogP19.51
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.35
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
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-[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
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-[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
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
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
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
9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-(4-deuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749763

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc32)c1.
What is the InChIKey of 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?
The InChIKey is KCCGFWKOCKIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H62N4O/c1-73(2,3)53-41-42-76-71(46-53)79-69-45-54(75(52-27-14-9-15-28-52)65-33-18-16-31-59(65)60-32-17-19-34-66(60)75)37-39-61(69)62-40-38-58(48-70(62)79)80-57-30-22-29-56(47-57)77-49-78(68-36-21-20-35-67(68)77)72-63(50-23-10-7-11-24-50)43-55(74(4,5)6)44-64(72)51-25-12-8-13-26-51/h7-48H,49H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1035.35 g/mol, XLogP of 19.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole is sourced from PubChem (CID 172545781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).