9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole

C43H31N5O — CID 168848410

IUPAC9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole
SMILESCN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C6c7ccccc7-c7ccccc76)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C43H31N5O/c1-46-27-47(39-17-9-8-16-38(39)46)29-21-23-45-42(25-29)49-30-18-19-34-33-12-6-7-15-37(33)48(40(34)26-30)41-24-28(20-22-44-41)43-35-13-4-2-10-31(35)32-11-3-5-14-36(32)43/h2-26,43H,27H2,1H3
InChIKeyMSZBGJXKXTWAFK-UHFFFAOYSA-N
MW633.76 g/mol
LogP10.07
Rot. Bonds5

About 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole

9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole (PubChem CID 168848410) has the molecular formula C43H31N5O and a molecular weight of 633.76 g/mol. Its IUPAC name is 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole.

Molecular Properties

Compound Name9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole
PubChem CID168848410
Molecular FormulaC43H31N5O
Molecular Weight633.76 g/mol
Exact Mass633.25
IUPAC Name9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole
SMILESCN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C6c7ccccc7-c7ccccc76)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C43H31N5O/c1-46-27-47(39-17-9-8-16-38(39)46)29-21-23-45-42(25-29)49-30-18-19-34-33-12-6-7-15-37(33)48(40(34)26-30)41-24-28(20-22-44-41)43-35-13-4-2-10-31(35)32-11-3-5-14-36(32)43/h2-26,43H,27H2,1H3
InChIKeyMSZBGJXKXTWAFK-UHFFFAOYSA-N
XLogP10.07
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.76
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-1-yl]-2-pyridinyl]oxy]carbazole
CID 168848644
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-6-phenyl-2-pyridinyl]oxy]carbazole
CID 168848689
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696377
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
CID 164782761
CID 164782761

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole?
The IUPAC name of 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole (CID 168848410) is 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole.
What is the SMILES notation for 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole?
The canonical SMILES for 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole is CN1CN(c2ccnc(Oc3ccc4c5ccccc5n(-c5cc(C6c7ccccc7-c7ccccc76)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole?
The InChIKey is MSZBGJXKXTWAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5O/c1-46-27-47(39-17-9-8-16-38(39)46)29-21-23-45-42(25-29)49-30-18-19-34-33-12-6-7-15-37(33)48(40(34)26-30)41-24-28(20-22-44-41)43-35-13-4-2-10-31(35)32-11-3-5-14-36(32)43/h2-26,43H,27H2,1H3.
What are the key properties of 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole?
9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole has a molecular weight of 633.76 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9H-fluoren-9-yl)-2-pyridinyl]-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]carbazole is sourced from PubChem (CID 168848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).