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

C73H64N4O — CID 172546072

IUPAC2-[[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
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C7(C)c8ccccc8-c8ccccc87)ccn6)c5c4)c4c(c3)C(C)(C)CC4(C)C)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C73H64N4O/c1-70(2,3)50-39-57(47-23-11-9-12-24-47)69(58(40-50)48-25-13-10-14-26-48)76-46-75(63-33-21-22-34-64(63)76)51-42-61-68(72(6,7)45-71(61,4)5)66(43-51)78-52-35-36-56-55-29-17-20-32-62(55)77(65(56)44-52)67-41-49(37-38-74-67)73(8)59-30-18-15-27-53(59)54-28-16-19-31-60(54)73/h9-44H,45-46H2,1-8H3
InChIKeyUTHAHBKKDFROEY-UHFFFAOYSA-N
MW1013.34 g/mol
LogP19.14
Rot. Bonds8

About 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

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 (PubChem CID 172546072) has the molecular formula C73H64N4O and a molecular weight of 1013.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID172546072
Molecular FormulaC73H64N4O
Molecular Weight1013.34 g/mol
Exact Mass1012.51
IUPAC Name2-[[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
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C7(C)c8ccccc8-c8ccccc87)ccn6)c5c4)c4c(c3)C(C)(C)CC4(C)C)c3ccccc32)c(-c2ccccc2)c1
InChIInChI=1S/C73H64N4O/c1-70(2,3)50-39-57(47-23-11-9-12-24-47)69(58(40-50)48-25-13-10-14-26-48)76-46-75(63-33-21-22-34-64(63)76)51-42-61-68(72(6,7)45-71(61,4)5)66(43-51)78-52-35-36-56-55-29-17-20-32-62(55)77(65(56)44-52)67-41-49(37-38-74-67)73(8)59-30-18-15-27-53(59)54-28-16-19-31-60(54)73/h9-44H,45-46H2,1-8H3
InChIKeyUTHAHBKKDFROEY-UHFFFAOYSA-N
XLogP19.14
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.34
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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]-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
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-[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
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-[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
14,26-ditert-butyl-29,29-difluoro-9,9-dimethyl-7-phenyl-7-(trideuteriomethyl)-1,3,16,23-tetrazanonacyclo[28.9.2.12,6.116,23.124,28.010,15.017,22.033,40.034,39]tetratetraconta-2,4,6(44),10(15),11,13,17,19,21,24(42),25,27,30(41),31,33(40),34,36,38-octadecaene
CID 163716169

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C7(C)c8ccccc8-c8ccccc87)ccn6)c5c4)c4c(c3)C(C)(C)CC4(C)C)c3ccccc32)c(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is UTHAHBKKDFROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H64N4O/c1-70(2,3)50-39-57(47-23-11-9-12-24-47)69(58(40-50)48-25-13-10-14-26-48)76-46-75(63-33-21-22-34-64(63)76)51-42-61-68(72(6,7)45-71(61,4)5)66(43-51)78-52-35-36-56-55-29-17-20-32-62(55)77(65(56)44-52)67-41-49(37-38-74-67)73(8)59-30-18-15-27-53(59)54-28-16-19-31-60(54)73/h9-44H,45-46H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1013.34 g/mol, XLogP of 19.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172546072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).