2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

C45H35FN4O — CID 172533980

IUPAC2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5ccccc5)cc(N5CN(c6ccc(F)cc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H35FN4O/c1-30(2)32-22-23-47-45(26-32)50-41-13-7-6-12-39(41)40-21-20-37(28-44(40)50)51-38-25-33(31-10-4-3-5-11-31)24-36(27-38)49-29-48(35-18-16-34(46)17-19-35)42-14-8-9-15-43(42)49/h3-28,30H,29H2,1-2H3
InChIKeyGVQLWPUIHUDXBF-UHFFFAOYSA-N
MW666.80 g/mol
LogP12.15
Rot. Bonds7

About 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole

2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 172533980) has the molecular formula C45H35FN4O and a molecular weight of 666.80 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID172533980
Molecular FormulaC45H35FN4O
Molecular Weight666.80 g/mol
Exact Mass666.28
IUPAC Name2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5ccccc5)cc(N5CN(c6ccc(F)cc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H35FN4O/c1-30(2)32-22-23-47-45(26-32)50-41-13-7-6-12-39(41)40-21-20-37(28-44(40)50)51-38-25-33(31-10-4-3-5-11-31)24-36(27-38)49-29-48(35-18-16-34(46)17-19-35)42-14-8-9-15-43(42)49/h3-28,30H,29H2,1-2H3
InChIKeyGVQLWPUIHUDXBF-UHFFFAOYSA-N
XLogP12.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.80
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-methylphenyl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172534034
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172530270
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530491
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566
2-[3-[3-[4-(2-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172533939
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]carbazole
CID 172530506
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-methyl-2H-benzimidazol-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 172534411
2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-(4-propan-2-ylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534157
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
2-[3-[3-[4-(3-fluorophenyl)-2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 172534069

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 172533980) is 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5ccccc5)cc(N5CN(c6ccc(F)cc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is GVQLWPUIHUDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35FN4O/c1-30(2)32-22-23-47-45(26-32)50-41-13-7-6-12-39(41)40-21-20-37(28-44(40)50)51-38-25-33(31-10-4-3-5-11-31)24-36(27-38)49-29-48(35-18-16-34(46)17-19-35)42-14-8-9-15-43(42)49/h3-28,30H,29H2,1-2H3.
What are the key properties of 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 666.80 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-phenylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 172533980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).