9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole

C68H48N6O — CID 169289039

IUPAC9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C)c6cc(-c7ccccc7)ccc65)c4)cc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C68H48N6O/c1-44-38-67(69-42-56(44)68-63(72-57-27-11-6-22-50(57)51-23-7-12-28-58(51)72)32-17-33-64(68)73-59-29-13-8-24-52(59)53-25-9-14-30-60(53)73)74-61-31-15-10-26-54(61)55-36-35-49(41-65(55)74)75-48-21-16-20-47(40-48)71-43-70(2)66-39-46(34-37-62(66)71)45-18-4-3-5-19-45/h3-42H,43H2,1-2H3
InChIKeyYMKWBYFWJMIHAW-UHFFFAOYSA-N
MW965.17 g/mol
LogP17.35
Rot. Bonds8

About 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole (PubChem CID 169289039) has the molecular formula C68H48N6O and a molecular weight of 965.17 g/mol. Its IUPAC name is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole.

Molecular Properties

Compound Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
PubChem CID169289039
Molecular FormulaC68H48N6O
Molecular Weight965.17 g/mol
Exact Mass964.39
IUPAC Name9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C)c6cc(-c7ccccc7)ccc65)c4)cc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C68H48N6O/c1-44-38-67(69-42-56(44)68-63(72-57-27-11-6-22-50(57)51-23-7-12-28-58(51)72)32-17-33-64(68)73-59-29-13-8-24-52(59)53-25-9-14-30-60(53)73)74-61-31-15-10-26-54(61)55-36-35-49(41-65(55)74)75-48-21-16-20-47(40-48)71-43-70(2)66-39-46(34-37-62(66)71)45-18-4-3-5-19-45/h3-42H,43H2,1-2H3
InChIKeyYMKWBYFWJMIHAW-UHFFFAOYSA-N
XLogP17.35
TPSA43.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.17
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
10-[2-[4-methyl-6-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-3-pyridinyl]-3-phenoxazin-10-ylphenyl]phenoxazine
CID 169289081
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
3-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-6-phenylcarbazol-9-yl]-5-phenyl-[1]benzoborolo[3,2-c]pyridine
CID 162476407
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476242
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-[5-(4-dibenzofuran-3-ylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164726941

Frequently Asked Questions

What is the IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The IUPAC name of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole (CID 169289039) is 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole.
What is the SMILES notation for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The canonical SMILES for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(C)c6cc(-c7ccccc7)ccc65)c4)cc32)ncc1-c1c(-n2c3ccccc3c3ccccc32)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
The InChIKey is YMKWBYFWJMIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N6O/c1-44-38-67(69-42-56(44)68-63(72-57-27-11-6-22-50(57)51-23-7-12-28-58(51)72)32-17-33-64(68)73-59-29-13-8-24-52(59)53-25-9-14-30-60(53)73)74-61-31-15-10-26-54(61)55-36-35-49(41-65(55)74)75-48-21-16-20-47(40-48)71-43-70(2)66-39-46(34-37-62(66)71)45-18-4-3-5-19-45/h3-42H,43H2,1-2H3.
What are the key properties of 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole?
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole has a molecular weight of 965.17 g/mol, XLogP of 17.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole is sourced from PubChem (CID 169289039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).